SCHEMBL9040308

SCHEMBL9040308

CC1(C)Oc2ccc(C#C[Si](C)(C)C)cc2[C@@H]2O[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 18/20 0.39
ABCC9 O60706 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9040304 1.00 ABCB1 (0.39) ABCB1ABCC9KDM4E
SCHEMBL481900 0.81 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL4023253 0.81 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL9363607 0.81 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL6273195 0.81 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL482249 0.81 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL9371324 0.81 ABCB1 (0.56) ABCB1KDM4E
SCHEMBL5868353 0.74 IDO1 (0.40) ABCB1
SCHEMBL6274078 0.74 IDO1 (0.40) ABCB1
SCHEMBL5868357 0.74 IDO1 (0.40) ABCB1

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-0401010-B1 Pyranyl cyanoguanidine derivatives SQUIBB & SONS INC (US) 1996-08-21 EP disclosed
US-5140031-A Pyranyl cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1992-08-18 US disclosed
EP-0401010-A2 Pyranyl cyanoguanidine derivatives E.R. Squibb & Sons, Inc. (US) 1990-12-05 EP disclosed