SCHEMBL8993273

SCHEMBL8993273

CC(OC(=O)Nc1ccc(C(=O)O)cc1)SC1c2cc(Cl)ccc2-c2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F11 P03951 12/20 0.41
NHERF1 O14745 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 1/20 0.40
KLKB1 P03952 4/20 0.39
PYGL P06737 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8993311 0.87 POLB (0.43) HPGDMAPTKDM4E
SCHEMBL29519366 0.72 PLA2G4A (0.45) F11NHERF1HPGDMAPTPYGL
SCHEMBL11953212 0.70 NPC1 (0.65) HPGDALOX15KDM4E
SCHEMBL19628853 0.67 RAB9A (0.49) HPGDMAPTKDM4E
SCHEMBL8993354 0.67 POLB (0.44) MAPT
SCHEMBL14614384 0.66 KDM4E (0.44) F11KLKB1KDM4E
SCHEMBL9335595 0.65 HPGD (0.67) HPGDALOX15MAPTKDM4E
SCHEMBL6379411 0.65 MAPT (0.58) HPGDALOX15MAPT
SCHEMBL3001175 0.63 SMN1; SMN2 (0.64) HPGDMAPT
SCHEMBL11466437 0.63 MEN1 (0.81) HPGDMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US claimed
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US disclosed