SCHEMBL4748003

SCHEMBL4748003

Cc1ccc(-c2nc(COc3cccc(CN4CCC[C@@H]4C(=O)O)c3)c(C)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.55
PPARG P37231 16/20 0.55
PPARA Q07869 16/20 0.55
CYP2C9 P11712 6/20 0.55
KCNH2 Q12809 6/20 0.55
KDR P35968 1/20 0.55
POLB P06746 1/20 0.52

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
SCHEMBL4748063 1.00 CD274 (0.55) CD274PPARGPPARACYP2C9KCNH2
SCHEMBL4748070 1.00 CD274 (0.55) CD274PPARGPPARACYP2C9KCNH2
SCHEMBL4743664 0.95 CD274 (0.60) CD274PPARGPPARACYP2C9KCNH2
SCHEMBL4746619 0.95 CD274 (0.60) CD274PPARGPPARACYP2C9KCNH2
SCHEMBL4744628 0.95 CD274 (0.61) CD274PPARGPPARAKDRPOLB
SCHEMBL14041184 0.95 PPARG (0.57) CD274PPARGPPARACYP2C9KCNH2
SCHEMBL4744012 0.95 CD274 (0.61) CD274PPARGPPARAKDRPOLB
SCHEMBL4746232 0.95 PPARG (0.57) CD274PPARGPPARACYP2C9KCNH2
SCHEMBL4747847 0.93 CD274 (0.63) CD274PPARGPPARAKDRPOLB
SCHEMBL4743927 0.92 CD274 (0.65) CD274PPARGPPARAKDRPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO claimed
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed