SCHEMBL4563689

SCHEMBL4563689

CC(C)Cc1ccc[c]c1O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.55
GABRB2 P47870 3/20 0.55
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ELANE P08246 2/20 0.33
CTSG P08311 1/20 0.33
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL310156 0.78 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL1933231 0.77
SCHEMBL11731891 0.77
SCHEMBL24554 0.76 GABRA1 (0.45) GABRA1GABRB2
SCHEMBL919938 0.76 GABRA1 (0.45) GABRA1GABRB2
SCHEMBL5504187 0.74
SCHEMBL9359703 0.73 GABRA1 (0.37) GABRA1GABRB2ELANECTSG
SCHEMBL4562779 0.72 GABRA1 (0.41) GABRA1GABRB2ELANECTSG
SCHEMBL1664569 0.72 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL864085 0.72 GABRA1 (1.00) GABRA1GABRB2KDM4EUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121672-A2 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2009-11-25 EP disclosed
WO-2008094912-A2 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-08-07 WO disclosed