SCHEMBL4640765

SCHEMBL4640765

CCCCCC(=O)c1ccc(C(CCC)c2ncc[nH]2)c(OCc2ccc(Br)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.40
SMPD1 P17405 2/20 0.37
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B3 P37058 6/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
EGFR P00533 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
VCP P55072 1/20 0.34

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
SCHEMBL5597305 0.93 FPR2 (0.40) FPR2SMPD1THRATHRBNPC1
SCHEMBL5597310 0.89 FPR2 (0.44) FPR2SMPD1RXRARXRB
SCHEMBL4642685 0.83 FPR2 (0.47) FPR2SMPD1NPC1HPGDRAB9A
SCHEMBL4642228 0.82 FPR2 (0.44) FPR2SMPD1THRBRXRARXRB
SCHEMBL5597175 0.78 FPR2 (0.38) FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL4640767 0.77 SMPD1 (0.41) SMPD1THRATHRB
SCHEMBL2348989 0.77 ALDH1A1 (0.41) SMPD1HPGDTDP1
SCHEMBL6437508 0.76 FPR2 (0.47) FPR2SMPD1NPC1HPGDRAB9A
SCHEMBL5597306 0.76 SMPD1 (0.41) SMPD1THRATHRBHSD17B3
SCHEMBL5597243 0.75 HSD17B3 (0.46) FPR2HSD17B3

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