SCHEMBL12475412

SCHEMBL12475412

CCCCC(C(=O)c1ccccc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.49
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
PRSS1 P07477 3/20 0.46
CTSG P08311 3/20 0.46
CTRB1 P17538 3/20 0.46
CMA1 P23946 3/20 0.46
POLB P06746 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ELANE P08246 1/20 0.44
CTRC Q99895 1/20 0.44
CNR2 P34972 1/20 0.43
NAAA Q02083 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL12475541 0.89 PGR (0.51) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27620791 0.87 PGR (0.46) PGRADRA2AADRA2BHTR2AHRH1
Water SCHEMBL27620796 0.85 SLC6A2 (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8733899 0.82 PGR (0.51) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL4994418 0.82 PGR (0.51) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27733583 0.82 MMP2 (0.48) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8882153 0.82 PGR (0.55) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL7714551 0.81 PGR (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL12475594 0.80 MMP2 (0.55) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL504212 0.80 MDM2 (0.53) PGRADRA2AADRA2BHTR2AHRH1

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