SCHEMBL10464015

SCHEMBL10464015

C=C(C)C(OC(=O)COc1ccc(C(F)(F)F)cc1Cl)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 13/20 0.50
CYP2C19 P33261 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL10464447 0.86 TDP1 (0.55) MEN1KMT2AL3MBTL1
SCHEMBL5320603 0.83 MRGPRX4 (0.57) MRGPRX4CYP2C19PPARDPPARAL3MBTL1
SCHEMBL10463507 0.81 KDM4E (0.48) MRGPRX4PPARAMEN1KMT2AL3MBTL1
SCHEMBL10463239 0.79 ESR1 (0.57) MEN1KMT2ACYP1A2CYP2C9
SCHEMBL10463466 0.77 TDP1 (0.55) L3MBTL1
SCHEMBL10464445 0.76 TDP1 (0.51) L3MBTL1
SCHEMBL10463227 0.75 TDP1 (0.53) L3MBTL1
SCHEMBL10463975 0.74 TDP1 (0.64) L3MBTL1
SCHEMBL10463436 0.74 TDP1 (0.54) MEN1KMT2AL3MBTL1
SCHEMBL10463437 0.74 TDP1 (0.54) MEN1KMT2AL3MBTL1

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
US-4902334-A HERBICIDES TEIJIN LIMITED (JP) 1990-02-20 US disclosed
EP-0149034-A2 Regulation of plant metalbolism by alpha,beta- or beta,gamma-unsaturated carboxylic acids or derivatives thereof TEIJIN LIMITED (JP) 1985-07-24 EP disclosed