SCHEMBL11240906

SCHEMBL11240906

C=CCc1cc(C)c(C(C)O[C]=O)cc1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
POLB P06746 1/20 0.36
PTPN1 P18031 9/20 0.35
XDH P47989 1/20 0.35
SRD5A1 P18405 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.32

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
SCHEMBL1975607 0.73 GABRA1 (0.53) GABRA1GABRB2POLBPTPN1XDH
SCHEMBL11240908 0.72 GABRA1 (0.37) GABRA1GABRB2POLBPTPN1SRD5A1
SCHEMBL6231907 0.71 XDH (0.44) GABRA1GABRB2POLBXDHKDM4E
SCHEMBL385533 0.69
SCHEMBL11388013 0.68 GABRA1 (0.52) GABRA1GABRB2POLBPTPN1XDH
SCHEMBL1420694 0.67 GABRA1 (0.64) GABRA1GABRB2POLBPTPN1XDH
SCHEMBL11240911 0.66 KDM4E (0.51) PTPN1KDM4EMAPK1
SCHEMBL6309438 0.65 GABRA1 (0.61) GABRA1GABRB2POLBPTPN1XDH
SCHEMBL6229373 0.65 CYP1A2 (0.51) GABRA1GABRB2POLBXDHMAPK1
SCHEMBL10684859 0.65 GABRA1 (0.52) GABRA1GABRB2POLBXDHSRD5A1

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
JP-57115458-A None JP disclosed
JP-S57115458-A STABILIZED SYNTHETIC RESIN COMPOSITION SUMITOMO CHEM CO LTD 1982-07-17 JP disclosed