SCHEMBL3883672

SCHEMBL3883672

CCC(Cc1ccc(OCC2CCCCC2)c(-c2ccc3cc(OC)ccc3c2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.44
PPARA Q07869 11/20 0.44
PPARD Q03181 7/20 0.44
ELANE P08246 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
DHODH Q02127 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL3884528 0.91 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL3882927 0.85 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL3884521 0.83 THRA (0.48) PPARAPPARDELANEDHODHPARP15
SCHEMBL3882775 0.80 ELANE (0.42) PPARDELANEDHODHPARP15PARP10
SCHEMBL3888367 0.79 PDE4B (0.44) PPARGPPARAPPARD
SCHEMBL3882136 0.79 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL3881996 0.79 KEAP1 (0.40) PPARGPPARAPPARD
SCHEMBL3884992 0.79 PPARG (0.40) PPARGPPARAPPARD
SCHEMBL3882409 0.79 PTGER1 (0.42) PPARGPPARAPPARDAKR1C3AKR1C2
SCHEMBL3889302 0.78 PPARG (0.46) PPARGPPARAPPARD

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-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed