SCHEMBL8325846

SCHEMBL8325846

CCCC/C(C(=O)O)=C(\C)N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.55
FNTB P49356 2/20 0.55
THRB P10828 1/20 0.55
PGGT1B P53609 1/20 0.55
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
ALDH1A1 P00352 3/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 2/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 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
SCHEMBL8325853 1.00 FNTA (0.55) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL3133846 0.86 HDAC3 (0.43) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL12490349 0.86 HDAC3 (0.43) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL18047806 0.84 FNTA (0.52) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL3357105 0.84 CES1 (0.46) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL10475333 0.84 CES1 (0.46) FNTAFNTBTHRBPGGT1BCES1
Bromide SCHEMBL20239734 0.84 FNTA (0.42) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL180491 0.83 FNTA (0.60) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL555771 0.83 FNTA (0.60) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL180490 0.83 FNTA (0.60) FNTAFNTBTHRBPGGT1BCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012123966-A1 PROCESS FOR THE PREPARATION OF 4 -SUBSTITUTED -1, 4-DIHYDROPYRIDINES ARCH PHARMALABS LIMITED (IN) 2012-09-20 WO disclosed
US-6005146-A IMPROVED ADHESION PROMOTERS FOR LATEX PAINTS EASTMAN CHEMICAL COMPANY (US) 1999-12-21 US disclosed
EP-0953019-A1 STABILIZED NON-POLYMERIC ACETOACETATE ESTERS THAT PROMOTE ADHESION TO METALLIC AND OXIDIZED SUBSTRATES EASTMAN CHEMICAL COMPANY (US) 1999-11-03 EP disclosed
US-5913970-A NONPOLYMERIC ENAMINE ADDED TO AN AQUEOUS DISPERSION POLYMER IN THE PRESENCE OF OTHER CONVENTIONAL PAINT ADDITIVES EASTMAN CHEMICAL COMPANY (US) 1999-06-22 US disclosed
WO-1998031753-A1 STABILIZED NON-POLYMERIC ACETOACETATE ESTERS THAT PROMOTE ADHESION TO METALLIC AND OXIDIZED SUBSTRATES EASTMAN CHEMICAL COMPANY (US) 1998-07-23 WO disclosed