SCHEMBL12475346

SCHEMBL12475346

CCCc1cccc(C(C)=O)c1CC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
LTB4R Q15722 6/20 0.40
LTB4R2 Q9NPC1 4/20 0.40
F2R P25116 1/20 0.40
CLCN2 P51788 1/20 0.39
HTT P42858 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HSD17B1 P14061 1/20 0.38
DAO P14920 1/20 0.37
KDR P35968 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
IAPP P10997 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL12475620 0.93 PRKCI (0.42) PRKCIGABRA1GABRB2LTB4RLTB4R2
SCHEMBL12475575 0.89 BID (0.43) GABRA1GABRB2LTB4RLTB4R2F2R
SCHEMBL10499032 0.88 GABRA1 (0.48) GABRA1GABRB2F2RCLCN2HTT
SCHEMBL15344635 0.85 CLCN2 (0.50) GABRA1GABRB2CLCN2HTTALDH1A1
SCHEMBL12475388 0.84 BID (0.42) LTB4RLTB4R2IAPP
SCHEMBL144959 0.84 PARP1 (0.44) GABRA1GABRB2LTB4RLTB4R2CLCN2
SCHEMBL26162754 0.83 GABRA1 (0.43) GABRA1GABRB2F2RCLCN2HTT
SCHEMBL2125820 0.82 ALDH1A1 (0.47) PRKCIF2RHTTHCRTR1HCRTR2
SCHEMBL30628269 0.82 ALDH1A1 (0.47) PRKCIF2RHTTHCRTR1HCRTR2
SCHEMBL12475592 0.82 BID (0.43) HTTIAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673323-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING Valspar Sourcing, Inc. (US) 2013-12-18 EP disclosed
EP-2673326-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING Valspar Sourcing, Inc. (US) 2013-12-18 EP disclosed
WO-2012161758-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING VALSPAR SOURCING, INC. (US) 2012-11-29 WO disclosed
WO-2012109278-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING VALSPAR SOURCING, INC. (US) 2012-08-16 WO disclosed