SCHEMBL4748439

SCHEMBL4748439

Cc1ccc(-c2nc(COc3ccc(CN4CCOCC4C(=O)O)cc3)c(C)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.58
PPARA Q07869 8/20 0.58
FFAR1 O14842 1/20 0.50
TP53 P04637 4/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 4/20 0.48
MAOB P27338 1/20 0.47
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL4744410 1.00 PPARG (0.58) PPARGPPARAFFAR1TP53POLB
SCHEMBL4748448 0.94 FFAR1 (0.58) PPARGPPARAFFAR1MAOB
SCHEMBL4744768 0.94 FFAR1 (0.58) PPARGPPARAFFAR1MAOB
SCHEMBL4743963 0.92 PPARG (0.58) PPARGPPARA
SCHEMBL4744662 0.92 PPARG (0.58) PPARGPPARA
SCHEMBL4748033 0.92 PPARG (0.54) PPARGPPARAFFAR1TP53POLB
SCHEMBL4748410 0.91 PPARG (0.49) PPARGPPARAFFAR1MAOBCYP2C9
SCHEMBL4743673 0.91 PPARG (0.49) PPARGPPARAFFAR1MAOBCYP2C9
SCHEMBL4747650 0.90 PPARG (0.60) PPARGPPARACYP2C9KCNH2
SCHEMBL4745066 0.90 PPARG (0.60) PPARGPPARACYP2C9KCNH2

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
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