SCHEMBL10714980

SCHEMBL10714980

C=C(C)C(=O)OOC(C)(C)OC(=O)OC(C)(C)c1ccccc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
LPAR1 Q92633 1/20 0.34
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ELANE P08246 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
SCHEMBL10713280 0.85 LPAR1 (0.33) ALDH1A1CYP3A4CYP2C19LPAR1ATM
SCHEMBL10714822 0.82 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C19LPAR1
SCHEMBL3384477 0.80 CYP2D6 (0.36)
SCHEMBL3383812 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3384623 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28282211 0.71 TDP1 (0.42) ALDH1A1CYP2C19ATMTDP1ELANE
SCHEMBL10786259 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9420412 0.68 THRB (0.35) ALDH1A1
SCHEMBL16016805 0.68 MAPK1 (0.53) ALDH1A1CYP2C19ATMTDP1ELANE
SCHEMBL29578995 0.67 MAPK1 (0.44) ALDH1A1CYP3A4CYP2C19LPAR1TDP1

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
EP-0295821-A2 Method for production of graft resin composition NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-12-21 EP disclosed