SCHEMBL4976459

SCHEMBL4976459

C=CC(=O)CC(O)COCCCCCCOCC(O)CC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 6/20 0.39
TSHR P16473 4/20 0.39
CYP3A4 P08684 3/20 0.39
LPAR5 Q9H1C0 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLA2G2C Q5R387 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
P2RY10 O00398 1/20 0.33
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL13230686 0.87 TSHR (0.44) USP2HTTALDH1A1TSHRCYP3A4
SCHEMBL11035573 0.86 CA1 (0.42) ALDH1A1TSHRCA1CA2CA7
SCHEMBL1346255 0.81 LPAR5 (0.30) LPAR5
SCHEMBL601010 0.76 TSHR (0.57) USP2HTTALDH1A1TSHRCYP3A4
SCHEMBL13230693 0.76 TSHR (0.57) USP2HTTALDH1A1TSHRCYP3A4
SCHEMBL18961286 0.76 TSHR (0.57) USP2HTTALDH1A1TSHRCYP3A4
SCHEMBL18784691 0.76 TSHR (0.57) USP2HTTALDH1A1TSHRCYP3A4
SCHEMBL2010197 0.76
SCHEMBL8597422 0.75 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL2113973 0.74 TSHR (0.53) USP2HTTALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015272-A1 Polyurethane Foam FRITZ NAUER AG (CH) 2008-01-17 US disclosed