SCHEMBL9221502

SCHEMBL9221502

CC1(C)Oc2ccc(C#N)cc2[C@@H](O)[C@@H]1NC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.65
KDM4E B2RXH2 1/20 0.55
ABCB1 P08183 6/20 0.53
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL9221492 1.00 ABCC9 (0.65) ABCC9KDM4EABCB1CYP3A4ALOX15
SCHEMBL9221479 1.00 ABCC9 (0.65) ABCC9KDM4EABCB1CYP3A4ALOX15
SCHEMBL9212217 0.89 ABCC9 (0.66) ABCC9KDM4EABCB1
SCHEMBL9212195 0.89 ABCC9 (0.66) ABCC9KDM4EABCB1
SCHEMBL9212207 0.89 ABCC9 (0.66) ABCC9KDM4EABCB1
SCHEMBL3298519 0.86 ABCC9 (0.87) ABCC9KDM4EABCB1
SCHEMBL3298515 0.86 ABCC9 (0.87) ABCC9KDM4EABCB1
SCHEMBL9218809 0.86 ABCC9 (0.87) ABCC9KDM4EABCB1
SCHEMBL3298509 0.86 ABCC9 (0.87) ABCC9KDM4EABCB1
SCHEMBL8342992 0.86 ABCC9 (0.87) ABCC9KDM4EABCB1

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