SCHEMBL4033345

SCHEMBL4033345

Cc1ccc(-c2ccccc2OCCCC(C)(C)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.60
TDP1 Q9NUW8 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TTR P02766 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C8 P10632 1/20 0.60
CHRM1 P11229 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
ADRA1A P35348 1/20 0.60
PPARG P37231 1/20 0.60
HTR2B P41595 1/20 0.60
SLCO1B3 Q9NPD5 1/20 0.60
CISD1 Q9NZ45 1/20 0.60
SLCO1B1 Q9Y6L6 1/20 0.60
LTB4R Q15722 3/20 0.57
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 6/20 0.49

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
SCHEMBL4035625 0.95 LTB4R (0.61) PPARATDP1SMN1; SMN2TTRCYP1A2
SCHEMBL3484594 0.87 LMNA (0.48) PPARATDP1SMN1; SMN2TTRCYP1A2
SCHEMBL4035649 0.86 PPARA (0.49) PPARATDP1SMN1; SMN2TTRCYP1A2
SCHEMBL11097988 0.84 PPARA (0.60) PPARATDP1SMN1; SMN2TTRCYP1A2
SCHEMBL3484528 0.83 LTB4R (0.48) TDP1SMN1; SMN2LTB4RLMNAL3MBTL1
SCHEMBL4034269 0.82 LTB4R (0.48) PPARALTB4RKDM4EALDH1A1
SCHEMBL4036598 0.79 PPARA (0.77) PPARATDP1SMN1; SMN2TTRCYP1A2
SCHEMBL12958327 0.79 SYK (0.52) TDP1SMN1; SMN2LMNAL3MBTL1MAPK1
SCHEMBL11096802 0.79 PPARA (0.62) PPARATDP1SMN1; SMN2TTRCYP1A2
SCHEMBL11090691 0.78 PPARA (0.61) PPARATDP1SMN1; SMN2TTRCYP1A2

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