SCHEMBL6536209

SCHEMBL6536209

COc1ccc(-c2ccc(C(=O)O)c(O)c2OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GPR35 Q9HC97 1/20 0.47
BACE1 P56817 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
SLC2A1 P11166 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
PRKAB2 O43741 2/20 0.45

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
SCHEMBL14689569 0.87 MAPT (0.60) SMN1; SMN2MAPTTDP1
SCHEMBL28188901 0.81 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1GAARXFP1
SCHEMBL7591657 0.77 SMN1; SMN2 (0.75) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL26768653 0.77 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL9419243 0.76 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1GAARXFP1
SCHEMBL989189 0.76 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1GAARXFP1
SCHEMBL9681370 0.76 SMN1; SMN2 (0.64) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL6884345 0.75 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1GAARXFP1
SCHEMBL21708057 0.75 CYP2C8 (0.50) SMN1; SMN2MAPTTDP1CA1CA2
SCHEMBL12683255 0.74 TDP1 (0.70) MAPTTDP1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed