SCHEMBL727827

SCHEMBL727827

COc1ccc(SC(C)(C)CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PDE4B Q07343 1/20 0.41
LDHA P00338 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL1140787 0.85 ALDH1A1 (0.43) CA1CA2MTNR1AMTNR1BALDH1A1
SCHEMBL7298900 0.83 MMP1 (0.48) CA1CA2MMP2MMP9MMP12
SCHEMBL7302773 0.81 ALDH1A1 (0.45) ALDH1A1MAPTSLC22A12LMNAFFAR1
SCHEMBL7312231 0.80 MTNR1A (0.43) CA1CA2MTNR1AMTNR1BALDH1A1
SCHEMBL13950515 0.79 SMN1; SMN2 (0.41) SLC22A12LMNANPC1RAB9A
SCHEMBL27891586 0.79 CA12 (0.42) CA1CA2MTNR1AMTNR1BALDH1A1
SCHEMBL6662235 0.78 ADAM17 (0.48) MMP2MMP9ALDH1A1KDM4E
SCHEMBL8746111 0.78 LDHA (0.46) LDHAMAPTHTTNPSR1LMNA
SCHEMBL14309703 0.77 SLC22A12 (0.54) CA1CA2MTNR1AMTNR1BALDH1A1
SCHEMBL13210450 0.77 CA1 (0.44) CA1CA2MTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4738738-B2 2011-08-03 JP claimed
EP-1576089-A4 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL LTD (IL) 2007-02-14 EP claimed
EP-1485464-A4 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA CELL LTD (IL) 2006-11-29 EP claimed
US-20050220774-A1 Methods of inducing differentiation in ex vivo expanded stem cells GAMIDA CELL LTD. (IL) 2005-10-06 US claimed
JP-2005528088-A 2005-09-22 JP claimed
EP-1576089-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS Gamida Cell Ltd. (IL) 2005-09-21 EP claimed
EP-1534820-A2 EX-VIVO EXPANSION OF HEMATOPOIETIC STEM CELL POPULATIONS IN MONONUCLEAR CELL CULTURES Gamida Cell Ltd. (IL) 2005-06-01 EP claimed
EP-1485464-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS Gamida Cell Ltd. (IL) 2004-12-15 EP claimed
WO-2004016731-A2 EX-VIVO EXPANSION OF HEMATOPOIETIC STEM CELL POPULATIONS IN MONONUCLEAR CELL CULTURES GAMIDA-CELL LTD. (IL) 2004-02-26 WO claimed
WO-2003078567-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA-CELL LTD. (IL) 2003-09-25 WO claimed
WO-2003062369-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA-CELL LTD. (IL) 2003-07-31 WO claimed
EP-2026778-B1 RAR ANTAGONIST OR INVERSE AGONIST FOR USE IN THE TREATMENT OF CHEMOTHERAPY AND/OR RADIATION THERAPY SIDE EFFECTS IO THERAPEUTICS LLC (US) 2018-11-14 EP disclosed
US-20180320139-A1 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL INC. 2018-11-08 US disclosed
US-20160097037-A1 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL LTD. 2016-04-07 US disclosed
US-9271946-B2 Use of a RAR antagonist or inverse agonist for the treatment of chemotherapy and/or radiation therapy side effects Io Therapeutics, Inc. (US) 2016-03-01 US disclosed
WO-2000019990-A2 RAR ANTAGONISTS AS MALE ANTI-FERTILITY AGENTS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed