SCHEMBL9195128

SCHEMBL9195128

CC(=O)c1ccc2c(c1)[C@@H](O)[C@H](Br)C(C)(C)O2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.40
KDM4E B2RXH2 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL9195123 1.00 ABCC9 (0.40) ABCC9KDM4EIDO1
SCHEMBL9195110 1.00 ABCC9 (0.40) ABCC9KDM4EIDO1
SCHEMBL30836921 0.88 IDO1 (0.39) KDM4EIDO1
SCHEMBL9313743 0.85 ACHE (0.38) ABCC9IDO1
SCHEMBL7324904 0.83 ABCC9 (0.51) ABCC9IDO1
SCHEMBL11608423 0.82 CYP1A2 (0.44) IDO1
SCHEMBL11608418 0.82 CYP1A2 (0.44) IDO1
SCHEMBL11608411 0.82 CYP1A2 (0.44) IDO1
SCHEMBL15257366 0.80 KDM4E (0.41) ABCC9KDM4E
SCHEMBL9194740 0.79 ABCC9 (0.43) ABCC9KDM4E

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-0389861-B1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-23 EP disclosed
US-5104890-A Potassium channel activtors; vasodilators FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-04-14 US disclosed
EP-0389861-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 EP disclosed
US-4251537-A Hypotensive 3,4-dihydro-2,2-dimethyl-4-amino-2H-benzo[b]pyran-3-ols BEECHAM GROUP LIMITED (GB) 1981-02-17 US disclosed