SCHEMBL27520563

SCHEMBL27520563

CCC=Cn1c(=O)cc(C(F)(F)F)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
KIF11 P52732 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AR P10275 5/20 0.36
KDM4E B2RXH2 2/20 0.36
NQO2 P16083 1/20 0.36
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY5R Q15761 2/20 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
SCHEMBL27544727 0.84 S1PR1 (0.36) PTGESKIF11HSD17B10ARKDM4E
SCHEMBL1771108 0.82 AR (0.34) ARS1PR1
SCHEMBL1771168 0.82 AR (0.34) ARS1PR1
SCHEMBL30901341 0.76 KDM4E (0.61) KIF11HSD17B10ARKDM4ENQO2
SCHEMBL5865925 0.76 KDM4E (0.61) KIF11HSD17B10ARKDM4ENQO2
SCHEMBL2457082 0.75 GPR3 (0.48) HSD17B10KDM4EALDH1A1MEN1MAPT
SCHEMBL2457083 0.75 GPR3 (0.48) HSD17B10KDM4EALDH1A1MEN1MAPT
SCHEMBL27579314 0.71 BACE1 (0.39) KIF11HSD17B10ARKDM4ENQO2
SCHEMBL27543756 0.70 ALDH1A1 (0.66) KDM4EALDH1A1
SCHEMBL27518959 0.69 ALDH1A1 (0.42) KIF11HSD17B10ARKDM4ENQO2

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
CN-1382124-A Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2002-11-27 CN claimed
CN-100384823-C Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARM INC (US) 2008-04-30 CN disclosed
CN-101029042-A Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-09-05 CN disclosed
CN-1262540-C Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2006-07-05 CN disclosed
CN-1775759-A Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARM INC (US) 2006-05-24 CN disclosed
CN-1382124-A Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2002-11-27 CN disclosed