SCHEMBL6536042

SCHEMBL6536042

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

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 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
SCHEMBL6536023 0.89
SCHEMBL6536083 0.81 ABCB1 (0.32) CACNA1D
SCHEMBL6536339 0.78
SCHEMBL6536329 0.77 CACNA1D (0.35) CACNA1D
SCHEMBL6535989 0.77
SCHEMBL6536412 0.77
SCHEMBL6536185 0.76 ALDH1A1 (0.32)
SCHEMBL6637342 0.58 EDNRA (0.32) CACNA1D
SCHEMBL6536043 0.57
SCHEMBL6536248 0.56 CA1 (0.33)

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