SCHEMBL3973054

SCHEMBL3973054

Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CO[C@@H]1CCCC(COC(C)(C)C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARA Q07869 14/20 0.44
PPARG P37231 13/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARD Q03181 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 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
SCHEMBL3971095 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APPARAPPARG
SCHEMBL14281457 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APPARAPPARG
SCHEMBL5178764 0.96 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APPARAPPARG
SCHEMBL1928298 0.92 PPARA (0.40) ALDH1A1MEN1KMT2APPARAPPARG
SCHEMBL14281461 0.90 PPARA (0.47) PPARAPPARGPPARDKDM4E
SCHEMBL4930018 0.90 PPARA (0.47) PPARAPPARGPPARDKDM4E
SCHEMBL4930024 0.90 PPARA (0.47) PPARAPPARGPPARDKDM4E
SCHEMBL14281464 0.89 PPARA (0.42) ALDH1A1KMT2APPARAPPARGPPARD
SCHEMBL4925236 0.89 PPARA (0.42) ALDH1A1KMT2APPARAPPARGPPARD
SCHEMBL3974627 0.88 ALDH1A1 (0.47) ALDH1A1KMT2APPARAPPARGMAPT

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-1778655-B1 2 - { - 3 2 - (PHENYL)-OXAZOL-4-YLMETHOXYL-CYCLOHEXYLMETHOXY}-PROPIONIC ACID DERIVATIVES USED AS PPAR LIGANDS (PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP claimed
US-7259177-B2 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-21 US disclosed