SCHEMBL3888367

SCHEMBL3888367

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PPARG P37231 5/20 0.40
XDH P47989 3/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LDHA P00338 1/20 0.36
MME P08473 1/20 0.36
MMEL1 Q495T6 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
SCHEMBL3884992 0.91 PPARG (0.40) NPC1RAB9APPARGPPARAPPARD
SCHEMBL3882487 0.90 ABL1 (0.42) PDE4BPPARGABL1
SCHEMBL3894944 0.90 PPARG (0.39) PDE4BNPC1RAB9APPARGXDH
SCHEMBL3882136 0.86 PPARG (0.41) PDE4BPPARGXDHPPARAPPARD
SCHEMBL3884679 0.84 S1PR1 (0.49) PDE4BNPC1RAB9AXDHCCNE1
SCHEMBL3887136 0.83 PDE4B (0.40) PDE4BNPC1RAB9AXDHKEAP1
SCHEMBL3885523 0.82 NPC1 (0.43) PDE4BNPC1RAB9AXDHCCNE1
SCHEMBL3884528 0.81 PPARG (0.46) PPARGPPARAPPARDKEAP1NFE2L2
SCHEMBL3884648 0.80 PPARG (0.41) PPARGPPARAPPARDKEAP1NFE2L2
SCHEMBL3884291 0.80 CYP1A2 (0.40) NPC1RAB9AXDHLMNA

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