SCHEMBL3884007

SCHEMBL3884007

CC(Cc1ccc(OCC2CCCC2)c(-c2ccc3c(O)cccc3c2)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PLA2G10 O15496 3/20 0.38
PLA2G2A P14555 3/20 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
PLA2G2E Q9NZK7 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.38
C5AR1 P21730 1/20 0.37
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
FFAR1 O14842 2/20 0.36
PPARD Q03181 2/20 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
SCHEMBL3882409 0.88 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2PLA2G10
SCHEMBL3890246 0.85 PTGER1 (0.40) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3888318 0.84 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2PLA2G10
SCHEMBL3881996 0.84 KEAP1 (0.40) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3681867 0.84 THRA (0.45) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3893373 0.83 AKR1C3 (0.43) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3883892 0.83 SRC (0.40) PTGER1PTGER4PTGER3PTGER2PLA2G10
SCHEMBL3687625 0.82 C5AR1 (0.39) PTGER1C5AR1SRCNFKB1NFKB2
SCHEMBL3884668 0.82 PTGS2 (0.42) PTGER1PTGER4PTGER3PTGER2C5AR1
SCHEMBL3882380 0.82 C5AR1 (0.38) PTGER1PTGER4PTGER3PTGER2PLA2G10

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