SCHEMBL3884628

SCHEMBL3884628

CC(Cc1ccc(OCCC2CCCC2)c(-c2ccc3ccccc3c2)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
C5AR1 P21730 2/20 0.44
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PLA2G10 O15496 3/20 0.39
PLA2G2A P14555 3/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G5 P39877 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
PLA2G12B Q9BX93 1/20 0.39
PLA2G12A Q9BZM1 1/20 0.39
PLA2G2F Q9BZM2 1/20 0.39
PLA2G3 Q9NZ20 1/20 0.39
PLA2G2E Q9NZK7 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.39
PPARD Q03181 4/20 0.39
FFAR1 O14842 1/20 0.39
PPARA Q07869 3/20 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
SCHEMBL3886327 0.99 PPARG (0.50) PPARGC5AR1PTGER1PTGER4PTGER3
SCHEMBL3882409 0.90 PTGER1 (0.42) PPARGC5AR1PTGER1PTGER4PTGER3
SCHEMBL3892376 0.84 PDE4A (0.43) PTGER1PTGER4PTGER3PTGER2PLA2G10
SCHEMBL3883909 0.84 PPARG (0.45) PPARGPTGER1PTGER4PTGER3PTGER2
SCHEMBL3894526 0.84 PPARG (0.47) PPARGC5AR1PTGER1PTGER4PTGER3
SCHEMBL3887129 0.83 ADRB1 (0.44) PTGER1PTGER4PTGER3PTGER2PLA2G10
SCHEMBL3881750 0.83 FFAR4 (0.53) PPARGC5AR1PPARDFFAR1
SCHEMBL3883201 0.83 FFAR4 (0.53) PPARGC5AR1PPARDFFAR1PTGES
SCHEMBL3890246 0.82 PTGER1 (0.40) PPARGC5AR1PTGER1PTGER4PTGER3
SCHEMBL3891271 0.82 PTGER1 (0.57) PPARGPTGER1PTGER4PTGER3PTGER2

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