SCHEMBL20102183

SCHEMBL20102183

CCCc1cc(Sc2cc(CC)c(O)c(CCC)c2)cc(CC)c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.43
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
PRKCI P41743 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
HMGCR P04035 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ELANE P08246 2/20 0.34
CTSG P08311 1/20 0.34
MAOA P21397 1/20 0.34
HSD17B3 P37058 1/20 0.33
EGFR P00533 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 3/20 0.32
PTGS2 P35354 2/20 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
SCHEMBL2678602 0.94 HMGCR (0.39) DHFRGABRA1GABRB2PRKCIPTPN1
SCHEMBL2678101 0.89 GABRA1 (0.48) DHFRGABRA1GABRB2CYP1A2CYP3A4
SCHEMBL10892002 0.85 ALOX5 (0.47) CYP3A4ELANECTSGHTTALOX5
SCHEMBL10933792 0.82 TYR (0.46) CYP3A4MAOAEGFRALDH1A1HTT
SCHEMBL1022736 0.79 DHFR (0.53) DHFRGABRA1GABRB2PRKCIPTPN1
SCHEMBL1023576 0.79 DHFR (0.53) DHFRGABRA1GABRB2PRKCIPTPN1
SCHEMBL1023654 0.79 DHFR (0.45) DHFRGABRA1GABRB2PRKCIPTPN1
SCHEMBL9744224 0.78 PTGS2 (0.51) CYP3A4EGFRALDH1A1HTTALOX5
SCHEMBL9297983 0.78 MAPT (0.40) GABRA1GABRB2CYP1A2CYP3A4CYP2C9
SCHEMBL20102180 0.76 DHFR (0.43) DHFRGABRA1GABRB2PRKCIPTPN1

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-20180120701-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, MASK BLANK INCLUDING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed