SCHEMBL6536233

SCHEMBL6536233

CCOC1(C=O)C=C(OC)C(O)=CC1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL6536173 0.88 KDM4E (0.33) ALDH1A1
SCHEMBL6536248 0.82 CA1 (0.33) ALDH1A1
SCHEMBL6535991 0.78 KDM4E (0.33) ALDH1A1
SCHEMBL6536227 0.78 KDM4E (0.32) ALDH1A1
SCHEMBL6536124 0.76 KDM4E (0.32) ALDH1A1
SCHEMBL6536329 0.61 CACNA1D (0.35) ADORA3TSHRALDH1A1CACNA1D
SCHEMBL4752286 0.59 POLB (0.31)
SCHEMBL31558897 0.55 CACNA1D (0.32) TSHRCACNA1D
SCHEMBL4591483 0.54 ADORA3 (0.35) ADORA3TSHRALDH1A1
SCHEMBL9616757 0.54 ADORA3 (0.41) ADORA3TSHRALDH1A1

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