SCHEMBL9214355

SCHEMBL9214355

CC1(C)Oc2ccc(C#N)cc2[C@H](Cl)[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
ABCB1 P08183 12/20 0.52
ABCC9 O60706 7/20 0.46

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
SCHEMBL9214370 1.00 CYP3A4 (0.54) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9214362 1.00 CYP3A4 (0.54) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9216547 0.90 CYP3A4 (0.58) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9216552 0.90 CYP3A4 (0.58) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9216538 0.90 CYP3A4 (0.58) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9213127 0.81 ABCB1 (0.56) ABCB1ABCC9
SCHEMBL9213115 0.81 ABCB1 (0.56) ABCB1ABCC9
SCHEMBL9213121 0.81 ABCB1 (0.56) ABCB1ABCC9
SCHEMBL9451996 0.74 CYP3A4 (0.49) CYP3A4ALOX15ABCB1ABCC9
SCHEMBL9451999 0.74 CYP3A4 (0.49) CYP3A4ALOX15ABCB1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP claimed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP disclosed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed