SCHEMBL3882136

SCHEMBL3882136

CCC(Cc1ccc(OCC2CCCC2)c(-c2ccc3ncsc3c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
PPARA Q07869 6/20 0.38
PPARD Q03181 4/20 0.38
FFAR1 O14842 1/20 0.36
PFKFB3 Q16875 1/20 0.36
CTSC P53634 1/20 0.36
PLA2G10 O15496 1/20 0.35
PLA2G2A P14555 1/20 0.35
XDH P47989 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
C5AR1 P21730 1/20 0.35

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 0.86 PDE4B (0.44) PPARGPDE4BPPARAPPARDXDH
SCHEMBL3884992 0.86 PPARG (0.40) PPARGPPARAPPARDPLA2G10PLA2G2A
SCHEMBL3882487 0.84 ABL1 (0.42) PPARGPDE4BPDE4D
SCHEMBL3894944 0.84 PPARG (0.39) PPARGPDE4BPPARAPPARDXDH
SCHEMBL3881860 0.83 S1PR1 (0.46) PDE4BPDE4DFFAR1PFKFB3CTSC
SCHEMBL6394123 0.82 PDE4B (0.43) PDE4BPDE4DFFAR1PFKFB3XDH
SCHEMBL3882140 0.81 PDE4B (0.40) PDE4BPDE4DPFKFB3C5AR1
SCHEMBL3884528 0.80 PPARG (0.46) PPARGPPARAPPARDPLA2G10PLA2G2A
SCHEMBL3884648 0.80 PPARG (0.41) PPARGPPARAPPARDPLA2G10PLA2G2A
SCHEMBL3883672 0.79 PPARG (0.44) PPARGPPARAPPARD

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