SCHEMBL4640748

SCHEMBL4640748

CCCCCC(=O)c1ccc(C(CCC)c2ncc[nH]2)s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.38
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FAAH O00519 9/20 0.34
DAGLA Q9Y4D2 5/20 0.34
PLA2G4A P47712 1/20 0.32
TBXAS1 P24557 1/20 0.32
HSD17B3 P37058 1/20 0.32
VCP P55072 1/20 0.32

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
SCHEMBL4641950 0.89 FPR2 (0.40) FPR2POLBTDP1
SCHEMBL5597243 0.78 HSD17B3 (0.46) FPR2HSD17B3
SCHEMBL4642325 0.77 HSD17B3 (0.47) HSD17B3
SCHEMBL5597129 0.74 FPR2 (0.41) FPR2
SCHEMBL4642757 0.74 HSD17B3 (0.44) FPR2HSD17B3
SCHEMBL4640750 0.73 TBXAS1 (0.50) POLBTDP1FAAHDAGLATBXAS1
SCHEMBL8088802 0.70 FPR2 (0.43) FPR2
SCHEMBL4640751 0.69 L3MBTL1 (0.42) FPR2HSD17B3
SCHEMBL2351291 0.69 CYP17A1 (0.43) TBXAS1
SCHEMBL14880753 0.69 CYP1A2 (0.42) FPR2

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 6 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-1804805-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2007-07-11 EP 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