SCHEMBL4642287

SCHEMBL4642287

CCCCOC(=O)c1ccc(C(CCC)c2ncc[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
CYP1A2 P05177 3/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2D6 P10635 2/20 0.48
ESR1 P03372 1/20 0.48
MAPK1 P28482 1/20 0.48
NR1H2 P55055 1/20 0.48
RNASEL Q05823 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4D Q08499 1/20 0.47
HPGD P15428 4/20 0.43
RECQL P46063 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 6/20 0.43
RAB9A P51151 3/20 0.43
STS P08842 3/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL4642675 0.86 ALDH1A1 (0.56) LMNACYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL4642757 0.82 HSD17B3 (0.44) L3MBTL1STSNPC1
SCHEMBL5597243 0.81 HSD17B3 (0.46) STS
SCHEMBL4642325 0.81 HSD17B3 (0.47) STS
SCHEMBL4640751 0.80 L3MBTL1 (0.42) SMN1; SMN2HPGDL3MBTL1STSALDH1A1
SCHEMBL953334 0.74 CHRM2 (0.43) CHRM2SCN1ASCN2ASCN3A
Hydrogen Peroxide SCHEMBL28645617 0.74 ESR1 (0.82) LMNACYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL5597421 0.73 FPR2 (0.39) CYP1A2CYP2C19CYP2D6CYP3A4CYP2C9
SCHEMBL2469646 0.72 CYP1A2 (0.47) LMNACYP1A2CYP2C19SMN1; SMN2ESR1
SCHEMBL9803992 0.72 CYP19A1 (0.43) CYP1A2CYP2C19CYP2D6CYP3A4CYP2C9

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