SCHEMBL28074175

SCHEMBL28074175

C=CCc1ccc(CCC)c(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
PRKCI P41743 1/20 0.44
DHFR P00374 1/20 0.42
MAPK1 P28482 2/20 0.40
AKR1B1 P15121 1/20 0.39
GAA P10253 1/20 0.39
ELANE P08246 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
CTSG P08311 1/20 0.37
TYR P14679 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
SCHEMBL23617749 0.89 GABRA1 (0.61) GABRA1GABRB2DHFRMAPK1AKR1B1
SCHEMBL15676646 0.85 GABRA1 (0.64) GABRA1GABRB2MAPK1AKR1B1GAA
SCHEMBL5590177 0.82 PRKCI (0.57) GABRA1GABRB2PRKCIELANEMEN1
SCHEMBL10556789 0.81 PRKCI (0.77) GABRA1GABRB2PRKCIMAPK1AKR1B1
SCHEMBL9026754 0.80 GABRA1 (0.40) GABRA1GABRB2PRKCIDHFRMAPK1
SCHEMBL27644801 0.78 DHFR (0.44) GABRA1GABRB2DHFRMAPK1AKR1B1
SCHEMBL1743958 0.78 PRKCI (0.44) GABRA1GABRB2PRKCIDHFRAKR1B1
SCHEMBL23854314 0.78 GABRA1 (0.52) GABRA1GABRB2MAPK1AKR1B1GAA
SCHEMBL978929 0.77 GABRA1 (0.55) GABRA1GABRB2AKR1B1GAAMEN1
SCHEMBL27968178 0.77 PRKCI (0.39) GABRA1GABRB2PRKCIDHFRELANE

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
CN-105658724-A Fluoropolymer composition 索尔维特殊聚合物意大利有限公司 2016-06-08 CN claimed
CN-105658724-A Fluoropolymer composition 索尔维特殊聚合物意大利有限公司 2016-06-08 CN disclosed