SCHEMBL4033438

SCHEMBL4033438

CC(C)(Oc1ccccc1CCBr)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MGLL Q99685 1/20 0.46
PPARA Q07869 9/20 0.42
PPARG P37231 13/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARD Q03181 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL4034715 0.86 PPARA (0.54) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL1010961 0.84 TAAR1 (0.53) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL29224676 0.83 KDM4E (0.58) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL3484624 0.82 FBP1 (0.51) PPARAPPARGNPSR1MEN1CYP1A2
SCHEMBL2441914 0.82 KDM4E (0.50) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL2439441 0.82 KDM4E (0.50) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL5794671 0.81 KDM4E (0.55) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL5795204 0.81 KDM4E (0.55) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL4033755 0.80 KDM4E (0.48) KDM4EALDH1A1HSD17B10MGLLPPARA
SCHEMBL28489848 0.80 KDM4E (0.48) KDM4EALDH1A1HSD17B10MGLLPPARA

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