SCHEMBL6918015

SCHEMBL6918015

COc1ccc(C(=O)O)c2c3c([nH]c12)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 4/20 0.40
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
FABP4 P15090 1/20 0.38
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 5/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
BTK Q06187 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL8327219 0.99 GFER (0.49) GFERKDM4EHPGDMAPTALOX15
SCHEMBL6920804 0.97 GFER (0.47) GFERKDM4EHPGDMAPTALOX15
SCHEMBL6922067 0.88 USP2 (0.43) GFERKDM4EMAPTALOX15HSD17B10
SCHEMBL6922902 0.85 GAA (0.40) GFERKDM4EMAPTALOX15HSD17B10
SCHEMBL6919528 0.79 MAPT (0.48) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL8320511 0.78 MAPT (0.48) MAPTMAPK1TDP1TP53ALDH1A1
SCHEMBL6755376 0.78 GFER (0.50) GFERKDM4EMAPTALOX15HSD17B10
SCHEMBL3424668 0.78 MAPT (0.50) KDM4EHPGDMAPTTDP1FABP4
SCHEMBL11742569 0.77 GFER (0.58) GFERKDM4EHPGDMAPTALOX15
SCHEMBL6920710 0.77 PDE4D (0.58) GFER

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-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed