SCHEMBL8074889

SCHEMBL8074889

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.53
PPARG P37231 7/20 0.47
CTSC P53634 1/20 0.41
PPARA Q07869 5/20 0.40
KMT2A Q03164 2/20 0.39
ACACB O00763 1/20 0.39
PSMB5 P28074 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8076967 0.85 CYP1A2 (0.53) EPHX2PPARGPPARA
SCHEMBL8076938 0.82 ACACB (0.43) EPHX2PPARGPPARAACACBLMNA
SCHEMBL8076867 0.79 EPHX2 (0.53) EPHX2PPARGCTSCPPARAKMT2A
SCHEMBL7713444 0.76 PPARG (0.71) EPHX2PPARGPPARAKMT2AMEN1
SCHEMBL7713441 0.76 PPARG (0.71) EPHX2PPARGPPARAKMT2AMEN1
SCHEMBL8663107 0.76 PPARG (0.55) EPHX2PPARGCTSCPPARAKMT2A
SCHEMBL8080089 0.76 L3MBTL1 (0.43) KMT2AMEN1LMNAMAPTHTT
SCHEMBL167033 0.75 CA2 (0.38)
Hydrochloric Acid SCHEMBL9239573 0.74 PPARG (0.69) EPHX2PPARGPPARAKMT2AMEN1
SCHEMBL11438722 0.73 EPHX2 (0.50) EPHX2PPARGPPARAKMT2ALMNA

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