SCHEMBL3884992

SCHEMBL3884992

CCC(Cc1ccc(OCC2CCCC2)c(-c2ccc3nc(N)sc3c2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
CYP1A2 P05177 1/20 0.40
PIK3CA P42336 6/20 0.38
PI4KA P42356 6/20 0.38
PI4KB Q9UBF8 6/20 0.38
PIK3CD O00329 5/20 0.38
PIK3CG P48736 5/20 0.38
PIK3CB P42338 4/20 0.38
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
BACE1 P56817 1/20 0.36
PIP5K1C O60331 1/20 0.36
PLA2G10 O15496 1/20 0.36

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
SCHEMBL3888367 0.91 PDE4B (0.44) PPARGNPC1RAB9ALMNAPPARD
SCHEMBL3884291 0.89 CYP1A2 (0.40) CYP1A2PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL3894944 0.89 PPARG (0.39) PPARGNPC1RAB9ALMNAPPARD
SCHEMBL3882487 0.89 ABL1 (0.42) PPARGABL1
SCHEMBL3891599 0.88 CYP1A2 (0.41) PPARGCYP1A2PIK3CAPI4KAPI4KB
SCHEMBL3882082 0.88 CYP1A2 (0.40) PPARGCYP1A2PIK3CAPI4KAPI4KB
SCHEMBL3882136 0.86 PPARG (0.41) PPARGPPARDPPARAPLA2G10PLA2G2A
SCHEMBL3884753 0.85 PPARD (0.43) PPARGCYP1A2PIK3CAPI4KAPI4KB
SCHEMBL3882781 0.84 S1PR1 (0.46) CYP1A2PIK3CAPI4KAPI4KBPIK3CD
SCHEMBL3884531 0.83 MAP4K4 (0.36) PPARGCYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed