SCHEMBL12475217

SCHEMBL12475217

[CH2]CC[C](CCCC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.41
CES2 O00748 5/20 0.41
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.38
CA1 P00915 1/20 0.36
TSHR P16473 4/20 0.33
LMNA P02545 1/20 0.33
AKR1B1 P15121 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
PPARG P37231 3/20 0.31
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
GPR84 Q9NQS5 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
TLR2 O60603 1/20 0.31
MEN1 O00255 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
SCHEMBL12475732 0.95 CES1 (0.38) CES1CES2ALDH1A1TP53CA1
SCHEMBL12475492 0.89 CES1 (0.38) CES1CES2ALDH1A1TP53CA1
SCHEMBL9452939 0.86 CES1 (0.39) CES1CES2ALDH1A1TP53CA1
SCHEMBL506061 0.84 CES1 (0.53) CES1CES2ALDH1A1TP53CA1
SCHEMBL12475561 0.81 CES2 (0.35) CES1CES2ALDH1A1TSHR
SCHEMBL28396912 0.81 CES1 (0.50) CES1CES2ALDH1A1TP53CA1
SCHEMBL235811 0.78 CES2 (0.46) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL233964 0.78 CES2 (0.46) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL235917 0.78 CES2 (0.46) CES1CES2ALDH1A1TSHRTHRB
SCHEMBL235328 0.78 CES2 (0.46) CES1CES2ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131965-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME Valspar Sourcing, Inc. (US) 2017-02-22 EP disclosed
WO-2015160788-A1 METHODS OF PREPARING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF USING SAME VALSPAR SOURCING, INC. (US) 2015-10-22 WO disclosed
EP-2882658-A1 CONTAINER COATING SYSTEM Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882792-A1 POLYCARBONATES Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882401-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2883113-A1 DEVELOPER FOR THERMALLY RESPONSIVE RECORD MATERIALS Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
EP-2882818-A1 STABILIZER AND COATING COMPOSITIONS THEREOF Valspar Sourcing, Inc. (US) 2015-06-17 EP disclosed
WO-2014025407-A1 POLYCARBONATES VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025406-A1 DENTAL MATERIALS AND METHOD OF MANUFACTURE VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025411-A1 CONTAINER COATING SYSTEM VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025400-A1 DEVELOPER FOR THERMALLY RESPONSIVE RECORD MATERIALS VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
WO-2014025410-A1 STABILIZER AND COATING COMPOSITIONS THEREOF VALSPAR SOURCING, INC. (US) 2014-02-13 WO disclosed
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