SCHEMBL4642292

SCHEMBL4642292

CCCCOC(=O)c1ccc(CCCCc2ncc[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
CYP1A2 P05177 3/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2D6 P10635 2/20 0.50
ESR1 P03372 1/20 0.50
MAPK1 P28482 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49
PDE4D Q08499 1/20 0.49
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4642678 0.84 CYP4A11 (0.58) CYP1A2CYP2C19SMN1; SMN2CYP3A4CYP2C9
SCHEMBL4642761 0.81 THRA (0.53) TBXAS1
SCHEMBL5597244 0.81 THRA (0.55) TBXAS1
SCHEMBL10978812 0.80 LMNA (0.66) LMNACYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL10986033 0.80 LMNA (0.66) LMNACYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL10955171 0.80 TSHR (0.70) LMNACYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL4640753 0.80 TBXAS1 (0.52) L3MBTL1TBXAS1NAMPT
SCHEMBL4642330 0.80 THRA (0.57) TBXAS1
SCHEMBL9368395 0.78 NAMPT (0.45) LMNASMN1; SMN2MAPK1ALDH1A1TBXAS1
SCHEMBL5709884 0.78 MAPT (0.69) LMNACYP1A2TSHRCYP2C19SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
EP-1804819-A4 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS UNIV WAYNE STATE (US) 2007-12-12 EP disclosed
EP-1804805-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
EP-1804819-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041939-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
WO-2006041941-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
EP-1492515-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2005-01-05 EP disclosed
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed