SCHEMBL4037965

SCHEMBL4037965

Cc1ccc(-c2cccc(OCC(C)(C)C(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
GGPS1 O95749 1/20 0.49
DGAT1 O75907 6/20 0.47
MAP4K4 O95819 1/20 0.47
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC13A5 Q86YT5 2/20 0.46
FFAR1 O14842 1/20 0.45
PTGER4 P35408 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL3485054 0.86 FFAR4 (0.47) CYP2C9FFAR4RXRARXRBGGPS1
SCHEMBL8264194 0.86 DGAT1 (0.53) CYP2C9FFAR4DGAT1MAP4K4MAPT
SCHEMBL4033084 0.85 SLC13A5 (0.48) RXRARXRBGGPS1DGAT1MAP4K4
SCHEMBL4035381 0.85 PPARA (0.60) CYP2C9FFAR4RXRARXRBCYP1A2
SCHEMBL13948414 0.80 CYP2C9 (0.61) CYP2C9DGAT1MAP4K4CYP1A2
SCHEMBL4033955 0.78 MAP4K4 (0.54) CYP2C9FFAR4RXRARXRBMAP4K4
SCHEMBL20777094 0.78 FFAR4 (0.45) FFAR4RXRARXRBGGPS1CYP1A2
SCHEMBL5724626 0.77 PPARA (0.58) CYP2C9DGAT1MAP4K4
SCHEMBL21749010 0.77 SSTR4 (0.56) CYP2C9DGAT1MAP4K4MRGPRX4
SCHEMBL30783154 0.77 SSTR4 (0.56) CYP2C9DGAT1MAP4K4MRGPRX4

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-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed