SCHEMBL11240908

SCHEMBL11240908

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
POLB P06746 2/20 0.36
SRD5A1 P18405 1/20 0.35
PTPN1 P18031 7/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
ALOX5 P09917 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GABRB1 P18505 1/20 0.31
RXRA P19793 1/20 0.31
CNR1 P21554 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
CNR2 P34972 1/20 0.31
GABRA2 P47869 1/20 0.31
KMT2A Q03164 1/20 0.31
ACE2 Q9BYF1 1/20 0.31

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) GABRA1GABRB2POLBSRD5A1PTPN1
SCHEMBL11240906 0.72 GABRA1 (0.37) GABRA1GABRB2POLBSRD5A1PTPN1
SCHEMBL11388013 0.71 GABRA1 (0.52) GABRA1GABRB2POLBSRD5A1PTPN1
SCHEMBL1420694 0.71 GABRA1 (0.64) GABRA1GABRB2POLBSRD5A1PTPN1
SCHEMBL10684859 0.68 GABRA1 (0.52) GABRA1GABRB2POLBSRD5A1NPSR1
SCHEMBL7737611 0.67 GABRA1 (0.59) GABRA1GABRB2POLBSRD5A1NPSR1
SCHEMBL1244606 0.67 GABRA1 (0.59) GABRA1GABRB2POLBSRD5A1PTPN1
SCHEMBL11240911 0.66 KDM4E (0.51) PTPN1KDM4EKMT2A
SCHEMBL6309438 0.65 GABRA1 (0.61) GABRA1GABRB2POLBSRD5A1PTPN1
SCHEMBL14308074 0.64 TYR (0.50) GABRA1GABRB2POLBSRD5A1PTPN1

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