SCHEMBL2944735

SCHEMBL2944735

O=C(O)CCc1c(Cc2ccccc2)[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.66
MTNR1B P49286 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
HPGD P15428 2/20 0.66
TSHR P16473 2/20 0.66
CYP2C19 P33261 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP2C9 P11712 1/20 0.66
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
MAPT P10636 2/20 0.61
CYP2D6 P10635 1/20 0.61
ALOX15 P16050 1/20 0.61
EGFR P00533 5/20 0.61
SRC P12931 4/20 0.61
GPR17 Q13304 1/20 0.55
MC4R P32245 3/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8001497 0.92 MTNR1A (0.63) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL2087168 0.85 HPGD (0.61) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL27348910 0.81 EGFR (0.63) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL31034424 0.81 HPGD (0.58) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL8804026 0.80 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL6862346 0.80 KDM4E (0.63) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL30479097 0.80 KDM4E (0.63) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
Luzindole SCHEMBL4869000 0.80 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL18919603 0.80 TSHR (0.58) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL29127032 0.79 ALDH1A1 (0.58) MTNR1AMTNR1BCYP1A2CYP3A4HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-2016164593-A1 COMPOSITIONS AND METHODS FOR MODULATING HYDROXYLATION OF ACC2 BY PHD3 PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-10-13 WO disclosed
EP-2147315-A2 DIABETES-RELATED BIOMARKERS AND METHODS OF USE THEREOF Tethys Bioscience, Inc. (US) 2010-01-27 EP disclosed
EP-2001496-A4 USE OF GELSOLIN TO DIAGNOSE AND TREAT INFLAMMATORY DISEASES BRIGHAM & WOMENS HOSPITAL (US) 2009-07-08 EP disclosed
EP-2001496-A2 USE OF GELSOLIN TO DIAGNOSE AND TREAT INFLAMMATORY DISEASES The Brigham & Women's Hospital, Inc. (US) 2008-12-17 EP disclosed
WO-2008131224-A2 DIABETES-RELATED BIOMARKERS AND METHODS OF USE THEREOF TETHYS BIOSCIENCE, INC. (US) 2008-10-30 WO disclosed
WO-2008048607-A2 COLLAGEN PEPTIDES AS IMMUNE MODULATORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-24 WO disclosed
WO-2007136674-A9 DETECTION AND MONITORING OF LIVER DAMAGE CLEVELAND CLINIC FOUNDATION (US) 2008-02-21 WO disclosed
WO-2007136674-A1 DETECTION AND MONITORING OF LIVER DAMAGE THE CLEVELAND CLINIC FOUNDATION (US) 2007-11-29 WO disclosed
WO-2007109056-A2 USE OF GELSOLIN TO DIAGNOSE AND TREAT INFLAMMATORY DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-09-27 WO disclosed
EP-1191929-A4 (Z)-STYRYL ACETOXYPHENYL SULFIDES AS CYCLOOXYGENASE INHIBITORS UNIV TEMPLE (US) 2005-02-16 EP disclosed
EP-1451577-A2 SOLUBLE CD40L(CD154) AS A PROGNOSTIC MARKER OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2004-09-01 EP disclosed
WO-2003040691-A2 SOLUBLE CD40L(CD154) AS A PROGNOSTIC MARKER OF ATHEROSCLEROTIC DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-05-15 WO disclosed
EP-1191931-A4 1-(4-SULFAMYLARYL)-3-SUBSTITUTED-5-ARYL-2-PYRAZOLINES AS INHIBITORS OF CYCLOOXYGENASE-2 UNIV TEMPLE (US) 2002-11-27 EP disclosed
EP-1191931-A1 1-(4-SULFAMYLARYL)-3-SUBSTITUTED-5-ARYL-2-PYRAZOLINES AS INHIBITORS OF CYCLOOXYGENASE-2 Temple University of the Commonwealth System of Higher Education (US) 2002-04-03 EP disclosed
EP-1191929-A2 (Z)-STYRYL ACETOXYPHENYL SULFIDES AS CYCLOOXYGENASE INHIBITORS Temple University of the Commonwealth System of Higher Education (US) 2002-04-03 EP disclosed
WO-2000077169-A2 (Z)-STYRYL ACETOXYPHENYL SULFIDES AS CYCLOOXYGENASE INHIBITORS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-12-21 WO disclosed
WO-2000076503-A1 1-(4-SULFAMYLARYL)-3-SUBSTITUTED-5-ARYL-2-PYRAZOLINES AS INHIBITORS OF CYCLOOXYGENASE-2 TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-12-21 WO disclosed
WO-2000076983-A1 1-(4-ARYLSULFONYL)-3-SUBSTITUTED-5-ARYL-2-PYRAZOLINES AS INHIBITORS OF CYCLOOXYGENASE-2 TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-12-21 WO disclosed
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed