SCHEMBL6536086

SCHEMBL6536086

COC1(CO)CC(C=O)=C(c2ccccc2)C=C1O

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6535969 0.76
SCHEMBL6536043 0.76
SCHEMBL6535990 0.76
SCHEMBL6536039 0.76 ERN1 (0.35) ALDH1A1CYP2D6
SCHEMBL6536025 0.75 NPC1 (0.35) MAPK1
SCHEMBL6219886 0.68 BACE1 (0.31)
SCHEMBL27826598 0.66
SCHEMBL28988468 0.64 NPC1 (0.34) MAPK1
SCHEMBL27893512 0.60
SCHEMBL28971602 0.59 NPC1 (0.31)

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