SCHEMBL7198795

SCHEMBL7198795

C=C(C)C(=O)OCC1CO1.C=CC(=O)OCCCCCCCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
TSHR P16473 10/20 0.43
CYP3A4 P08684 3/20 0.43
HPGD P15428 1/20 0.38
ESR1 P03372 1/20 0.35
TP53 P04637 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL17781982 0.92 ALDH1A1 (0.68) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL16242874 0.91 TSHR (0.50) ALDH1A1TSHRCYP3A4HPGDESR1
Ethylene SCHEMBL17781981 0.89 ALDH1A1 (0.68) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL11093313 0.87 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4HPGDTDP1
SCHEMBL1499202 0.87 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4HPGDTDP1
SCHEMBL31216393 0.85 TSHR (0.56) ALDH1A1TSHRCYP3A4HPGDESR1
SCHEMBL29004140 0.85 TSHR (0.56) ALDH1A1TSHRCYP3A4HPGDESR1
SCHEMBL9275729 0.85 ALDH1A1 (0.73) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL221053 0.84 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4HPGDTP53
Ethylene SCHEMBL3475332 0.83 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355994-A2 RADIATION CURABLE COATING FOR THERMOPLASTIC SUBSTRATES Valspar Sourcing, Inc. (US) 2003-10-29 EP disclosed
WO-2002077109-A2 RADIATION CURABLE COATING FOR THERMOPLASTIC SUBSTRATES VALSPAR SOURCING, INC. (US) 2002-10-03 WO disclosed