SCHEMBL6920804

SCHEMBL6920804

COc1ccc(C(=O)O)c2c3c([nH]c12)CCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.47
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.38
ALOX15 P16050 2/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
FABP4 P15090 1/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 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
SCHEMBL6918015 0.97 GFER (0.50) GFERKDM4EHPGDMAPTTDP1
SCHEMBL8327219 0.96 GFER (0.49) GFERKDM4EHPGDMAPTTDP1
SCHEMBL6922902 0.88 GAA (0.40) GFERKDM4EMAPTCYP19A1NQO2
SCHEMBL6922067 0.85 USP2 (0.43) GFERKDM4EMAPTTDP1CYP19A1
SCHEMBL6919528 0.77 MAPT (0.48) MAPTTDP1MAPK1ALDH1A1MEN1
SCHEMBL6921519 0.77 PDE4D (0.58) GFER
SCHEMBL8320511 0.76 MAPT (0.48) MAPTTDP1MAPK1ALDH1A1MEN1
SCHEMBL6755376 0.75 GFER (0.50) GFERKDM4EMAPTTDP1ALOX15
SCHEMBL3424668 0.75 MAPT (0.50) KDM4EHPGDMAPTTDP1ALDH1A1
SCHEMBL15016207 0.74 HTT (0.50) KDM4EHPGDMAPTTDP1CYP19A1

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
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
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