SCHEMBL3882409

SCHEMBL3882409

CC(Cc1ccc(OCC2CCCC2)c(-c2ccc3ccccc3c2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
C5AR1 P21730 1/20 0.42
PLA2G10 O15496 3/20 0.40
PLA2G2A P14555 3/20 0.40
PLA2G1B P04054 1/20 0.40
PLA2G5 P39877 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
PLA2G12B Q9BX93 1/20 0.40
PLA2G12A Q9BZM1 1/20 0.40
PLA2G2F Q9BZM2 1/20 0.40
PLA2G3 Q9NZ20 1/20 0.40
PLA2G2E Q9NZK7 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
SRC P12931 3/20 0.39
YES1 P07947 1/20 0.39

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
SCHEMBL3890246 0.91 PTGER1 (0.40) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3881996 0.90 KEAP1 (0.40) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3884628 0.90 PPARG (0.48) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3883892 0.90 SRC (0.40) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3883278 0.90 C5AR1 (0.41) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3888318 0.90 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3882380 0.90 C5AR1 (0.38) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3886327 0.90 PPARG (0.50) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3884439 0.89 C5AR1 (0.42) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3882520 0.89 KEAP1 (0.38) PTGER1PTGER4PTGER3PTGER2C5AR1

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