SCHEMBL8076867

SCHEMBL8076867

C=C(C)OC(=O)C(CC)Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.53
PPARG P37231 8/20 0.47
PPARA Q07869 5/20 0.43
KMT2A Q03164 2/20 0.39
ACACB O00763 1/20 0.39
MEN1 O00255 1/20 0.39
CTSC P53634 1/20 0.39

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
SCHEMBL8076517 0.85 CYP1A2 (0.53) EPHX2PPARGPPARA
SCHEMBL8076618 0.82 ACACB (0.43) EPHX2PPARGPPARAACACB
SCHEMBL8074889 0.79 EPHX2 (0.53) EPHX2PPARGPPARAKMT2AACACB
SCHEMBL8663107 0.76 PPARG (0.55) EPHX2PPARGPPARAKMT2AACACB
SCHEMBL7713444 0.76 PPARG (0.71) EPHX2PPARGPPARAKMT2AMEN1
SCHEMBL7713441 0.76 PPARG (0.71) EPHX2PPARGPPARAKMT2AMEN1
SCHEMBL8081389 0.76 BRD4 (0.45) KMT2AMEN1
Hydrochloric Acid SCHEMBL9239573 0.74 PPARG (0.69) EPHX2PPARGPPARAKMT2AMEN1
SCHEMBL11438722 0.73 EPHX2 (0.50) EPHX2PPARGPPARAKMT2A
SCHEMBL9577446 0.73 PPARG (0.56) EPHX2PPARGPPARAKMT2AMEN1

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-1031629-A2 Method of preparation of stereoisomeric carboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-08-30 EP disclosed