SCHEMBL12475592

SCHEMBL12475592

CCCCc1cccc(C(C)=O)c1CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 5/20 0.43
MCL1 Q07820 5/20 0.43
BCL2L1 Q07817 4/20 0.43
BAK1 Q16611 4/20 0.43
PPARA Q07869 3/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 2/20 0.43
SAE1 Q9UBE0 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
IAPP P10997 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 2/20 0.39
LIPG Q9Y5X9 1/20 0.39

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
SCHEMBL12475388 0.95 BID (0.42) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL12475575 0.93 BID (0.43) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL169572 0.86 BID (0.50) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL28178827 0.86 BID (0.43) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL18716719 0.86 BID (0.43) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL12475620 0.86 PRKCI (0.42) CYSLTR2CYSLTR1IAPP
Ammonia Solution, Strong SCHEMBL7718333 0.85 BID (0.49) BIDMCL1BCL2L1BAK1PPARA
Ammonia Solution, Strong SCHEMBL7718335 0.85 BID (0.49) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL6285466 0.85 CYP3A4 (0.45) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL28638059 0.84 CXCR5 (0.47) CYP3A4TSHRHTTTDP1L3MBTL1

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-2673326-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING Valspar Sourcing, Inc. (US) 2013-12-18 EP disclosed
EP-2673323-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