SCHEMBL7591107

SCHEMBL7591107

CCc1ccc(O)c(CN(C)CC(=O)O)c1CN(C)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
KMT2A Q03164 5/20 0.44
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIA1 P42261 3/20 0.41
GRIA2 P42262 3/20 0.41
GRIA3 P42263 3/20 0.41
GRIA4 P48058 3/20 0.41
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
NR4A2 P43354 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL7593815 0.84 TYR (0.44) HIF1AKMT2AHSD17B10MEN1TDP1
SCHEMBL12018350 0.76 HPGD (0.47) HIF1AKMT2ACYP2C19ALDH1A1CYP1A2
SCHEMBL7573065 0.73 GRIA1 (0.65) HIF1AGRIA1GRIA2GRIA3GRIA4
SCHEMBL19165801 0.72 HPGD (0.52) HIF1AKMT2ACYP2C19ALDH1A1CYP1A2
SCHEMBL11587647 0.71 AKR1B1 (0.55) HIF1AKMT2ACYP2C19ALDH1A1CYP1A2
SCHEMBL16153682 0.69 IAPP (0.47) HIF1ACYP2C19ALDH1A1CYP1A2HPGD
SCHEMBL5070398 0.69 HIF1A (0.48) HIF1AKMT2ACYP2C19ALDH1A1CYP1A2
SCHEMBL705441 0.68 GABRA1 (0.42) HSP90AA1HSP90AB1
Stearic Acid SCHEMBL11532451 0.68 GPR84 (0.46) KMT2AALDH1A1HPGDCASP1CASP7
Palmitic Acid SCHEMBL11531269 0.68 GPR84 (0.46) KMT2AALDH1A1HPGDCASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002102866-A2 PHTHALATE POLYESTER POLYOL-BASED COMPOSITIONS AND HIGH DIMENSIONALLY STABLE ALL WATER-BLOWN SPRAY POLYURETHANE FOAM DERIVED THEREFROM STEPAN COMPANY (US) 2002-12-27 WO disclosed
EP-0828775-A1 IMPROVED OPEN CELLED POLYURETHANE FOAMS AND METHODS AND COMPOSITIONS FOR PREPARING SUCH FOAMS STEPAN COMPANY (US) 1998-03-18 EP disclosed
WO-1996037533-A1 IMPROVED OPEN CELLED POLYURETHANE FOAMS AND METHODS AND COMPOSITIONS FOR PREPARING SUCH FOAMS STEPAN COMPANY (US) 1996-11-28 WO disclosed