SCHEMBL6536178

SCHEMBL6536178

COc1ccc(-c2ccc(C(=O)O)cc2OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA12 O43570 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
TPMT P51580 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.55
PLAU P00749 1/20 0.54
PLAT P00750 1/20 0.54
RXRA P19793 1/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL2560248 0.87 CA12 (0.59) SMN1; SMN2CA1CA2CA12CA4
SCHEMBL13066276 0.87 CA12 (0.59) SMN1; SMN2CA1CA2CA12CA4
SCHEMBL6248458 0.87 LMNA (0.68) SMN1; SMN2CA1CA2CA12CA4
SCHEMBL6059390 0.87 CA1 (0.63) SMN1; SMN2CA1CA2KDM4ELMNA
SCHEMBL29473817 0.87 CA12 (0.62) CA1CA2CA12CA4CA6
SCHEMBL2039468 0.87 CA12 (0.62) CA1CA2CA12CA4CA6
SCHEMBL17629876 0.86 CA12 (0.57) CA1CA2CA12CA4CA6
SCHEMBL28788985 0.86 CA12 (0.57) SMN1; SMN2CA1CA2CA12CA4
SCHEMBL28789049 0.86 MRGPRX4 (0.58) CA1CA2CA12CA4CA6
SCHEMBL2773191 0.84 CA1 (0.74) CA1CA2CA12CA4CA6

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