SCHEMBL4035625

SCHEMBL4035625

Cc1ccc(-c2ccccc2OCCCCCCC(C)(C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.61
PPARA Q07869 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
TTR P02766 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C8 P10632 1/20 0.54
CHRM1 P11229 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
ADRA1A P35348 1/20 0.54
PPARG P37231 1/20 0.54
HTR2B P41595 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
CISD1 Q9NZ45 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 3/20 0.50

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
SCHEMBL4033345 0.95 PPARA (0.60) LTB4RPPARATDP1TTRCYP1A2
SCHEMBL3484528 0.88 LTB4R (0.48) LTB4RTDP1SMN1; SMN2LMNAMAPK1
SCHEMBL4034269 0.87 LTB4R (0.48) LTB4RPPARAKDM4EPPARDALDH1A1
SCHEMBL11087920 0.84 PPARA (0.59) LTB4RPPARATDP1TTRCYP1A2
SCHEMBL3484594 0.82 LMNA (0.48) LTB4RPPARATDP1TTRCYP1A2
SCHEMBL4035649 0.81 PPARA (0.49) LTB4RPPARATDP1TTRCYP1A2
SCHEMBL11097988 0.79 PPARA (0.60) LTB4RPPARATDP1TTRCYP1A2
SCHEMBL9786367 0.78 KDM4E (0.48) PPARASMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL12958327 0.77 SYK (0.52) TDP1SMN1; SMN2LMNAMAPK1L3MBTL1
SCHEMBL8987136 0.76 LTB4R (1.00) LTB4R

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