SCHEMBL9620966

SCHEMBL9620966

CC(=O)CCN[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.65
ABCC9 O60706 8/20 0.63
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL10916613 1.00 ABCB1 (0.65) ABCB1ABCC9KDM4E
SCHEMBL9620891 0.89 ABCB1 (0.74) ABCB1ABCC9KDM4E
SCHEMBL9620901 0.89 ABCB1 (0.74) ABCB1ABCC9KDM4E
SCHEMBL9550597 0.87 ABCB1 (0.53) ABCB1ABCC9KDM4E
SCHEMBL11118134 0.86 ABCB1 (0.62) ABCB1ABCC9
SCHEMBL9032222 0.85 ABCB1 (0.69) ABCB1ABCC9
SCHEMBL9032236 0.85 ABCB1 (0.69) ABCB1ABCC9
SCHEMBL9032226 0.85 ABCB1 (0.69) ABCB1ABCC9
SCHEMBL7472242 0.85 ABCC9 (0.61) ABCB1ABCC9
SCHEMBL7472250 0.85 ABCC9 (0.61) ABCB1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0176689-B1 BENZOPYRAN COMPOUNDS FOR THE TREATMENT OF SMOOTH MUSCLES CONTRACTION BEECHAM GROUP PLC (GB) 1992-04-01 EP claimed
US-4786639-A ADMINISTERING BENZOPYRAN DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1988-11-22 US claimed
EP-0176689-A2 Benzopyran compounds for the treatment of smooth muscles contraction BEECHAM GROUP PLC (GB) 1986-04-09 EP claimed
US-4481214-A 4-Acylaminobenzopyrans useful as anti-hypertensive agents BEECHAM GROUP P.L.C. (GB) 1984-11-06 US claimed
EP-0176689-B1 BENZOPYRAN COMPOUNDS FOR THE TREATMENT OF SMOOTH MUSCLES CONTRACTION BEECHAM GROUP PLC (GB) 1992-04-01 EP disclosed
US-4786639-A ADMINISTERING BENZOPYRAN DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1988-11-22 US disclosed