SCHEMBL9876230

SCHEMBL9876230

CC1(C)Oc2ccc(C#N)cc2[C@@H](NC2=CC(=O)OC2)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.58
ABCB1 P08183 9/20 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
SCHEMBL9876226 1.00 ABCC9 (0.58) ABCC9ABCB1
SCHEMBL9876499 0.84 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9876501 0.84 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9876500 0.84 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9443645 0.81 ABCB1 (0.40) ABCC9ABCB1
SCHEMBL9876550 0.78 ABCC9 (0.52) ABCC9ABCB1
SCHEMBL9876552 0.78 ABCC9 (0.52) ABCC9ABCB1
SCHEMBL9876543 0.78 ABCC9 (0.52) ABCC9ABCB1
SCHEMBL9197746 0.78 ABCC9 (0.68) ABCC9ABCB1
SCHEMBL9197759 0.78 ABCC9 (0.68) ABCC9ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed