SCHEMBL17009154

SCHEMBL17009154

C=CCC(CC=C)(C(=O)CCCc1ccc(OC(C)(C=O)COCC)cc1)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.34
PPARA Q07869 2/20 0.33
THRB P10828 2/20 0.33
FAAH O00519 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL17009105 0.86 ALOX5 (0.38) ALOX5PPARAFAAHALDH1A1KMT2A
SCHEMBL17009152 0.82 PPARA (0.46) ALOX5PPARATHRBPPARG
SCHEMBL17009128 0.73 PPARA (0.47) PPARAPPARG
SCHEMBL17009120 0.69 PPARA (0.49) ALOX5PPARAKMT2APPARG
SCHEMBL17009104 0.66 PPARA (0.53) ALOX5PPARAKMT2APPARG
SCHEMBL17009142 0.64 ALOX5 (0.56) ALOX5ALDH1A1KMT2AHPGD
SCHEMBL14517130 0.62 PPARA (0.57) ALOX5PPARAKMT2APPARG
SCHEMBL770755 0.60 CYP2C19 (0.39) ALDH1A1
SCHEMBL7625577 0.60 PPARA (0.73) PPARAALDH1A1PPARGKDM4E
SCHEMBL14526638 0.59 PPARA (0.59) PPARAPPARG

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-3105205-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF Inception 2, Inc. (US) 2016-12-21 EP disclosed
WO-2015123133-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2015-08-20 WO disclosed