SCHEMBL9872032

SCHEMBL9872032

CC(=O)c1ccc2c(c1)C(C)C(C)(C)C(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
AKR1B1 P15121 1/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRND Q07001 1/20 0.37

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
SCHEMBL15257366 0.84 KDM4E (0.41) KDM4EAKR1B1CHRNA1CHRNGCHRNB1
SCHEMBL9443630 0.79 KDM4E (0.39) KDM4ECHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL17567325 0.75 KDM4E (0.50) KDM4EAKR1B1
SCHEMBL7693611 0.75 KDM4E (0.41) KDM4E
SCHEMBL7048882 0.75 KDM4E (0.41) KDM4E
SCHEMBL7048877 0.75 KDM4E (0.41) KDM4E
SCHEMBL2139332 0.72 KDM4E (0.50) KDM4E
SCHEMBL9765072 0.72 ABCB1 (0.34) KDM4E
SCHEMBL9195110 0.72 ABCC9 (0.40) KDM4E
SCHEMBL7048894 0.72 ABCC9 (0.43) KDM4E

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-5006550-A Skin disorder, arthritis, wound healing agents, dry eye syndrome ALLERGAN, INC. (US) 1991-04-09 US disclosed