SCHEMBL3883200

SCHEMBL3883200

CCc1ccc(CCOc2ccc(CC(C)C(=O)O)cc2-c2ccc3ccccc3c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
PPARA Q07869 5/20 0.43
PPARD Q03181 4/20 0.38
FFAR4 Q5NUL3 2/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
HPGD P15428 1/20 0.38
PLA2G10 O15496 3/20 0.38
PLA2G2A P14555 3/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G5 P39877 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
PLA2G12B Q9BX93 1/20 0.38
PLA2G12A Q9BZM1 1/20 0.38
PLA2G2F Q9BZM2 1/20 0.38
PLA2G3 Q9NZ20 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
SCHEMBL3886834 0.86 FFAR4 (0.48) PPARGPPARAPPARDFFAR4FFAR1
SCHEMBL3894526 0.86 PPARG (0.47) PPARGPPARAPPARDPLA2G10PLA2G2A
SCHEMBL3883909 0.84 PPARG (0.45) PPARGPPARAPPARDPLA2G10PLA2G2A
SCHEMBL3882422 0.83 PPARA (0.49) PPARGPPARAPPARDFFAR4PLA2G10
SCHEMBL3881984 0.83 CCNC (0.49) PPARGFFAR4HPGD
SCHEMBL3881338 0.81 PTPN1 (0.46) PPARGPPARAPPARDFFAR4PLA2G10
SCHEMBL3884272 0.80 PPARA (0.44) PPARGPPARAPPARDFFAR4PLA2G10
SCHEMBL3891271 0.80 PTGER1 (0.57) PPARGPPARACYSLTR2CYSLTR1PLA2G10
SCHEMBL3883296 0.79 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL3894495 0.79 PTGS2 (0.41) PPARGPPARAPPARDFFAR4PLA2G10

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