SCHEMBL8892935

SCHEMBL8892935

Cc1ccc(S(=O)(=O)OCCCC(CCCNC=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 2/20 0.39
STAT3 P40763 1/20 0.37
HTR1A P08908 1/20 0.36
PSMD10 O75832 1/20 0.36
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
DHODH Q02127 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33

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
SCHEMBL19922717 0.83 PSMD10 (0.43) CYP24A1STAT3PSMD10CA12CA9
SCHEMBL8312617 0.83 CYP24A1 (0.37) CYP24A1STAT3PSMD10CA12CA9
SCHEMBL7827075 0.79 ENPP3 (0.36) CYP24A1STAT3PSMD10ALDH1A1MEN1
SCHEMBL16771628 0.78 ALDH1A1 (0.45) STAT3PSMD10CA12CA9CA1
SCHEMBL28719294 0.76 CYP24A1 (0.42) CYP24A1STAT3PSMD10CA12CA9
SCHEMBL912590 0.75 CYP24A1 (0.40) CYP24A1STAT3HTR1APSMD10CA12
SCHEMBL22945668 0.75 CYP24A1 (0.41) CYP24A1STAT3CA12CA9CA1
SCHEMBL6005376 0.74 KIF11 (0.47) CYP24A1STAT3CA12CA9CA1
SCHEMBL24488898 0.73 CYP24A1 (0.40) CYP24A1STAT3PSMD10CA12CA9
SCHEMBL31516447 0.72 TK1 (0.46) CYP24A1STAT3ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed