SCHEMBL3882380

SCHEMBL3882380

CC(Cc1ccc(OCC2CCCC2)c(-c2ccc3ccc(N)cc3c2)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
SRC P12931 6/20 0.38
YES1 P07947 1/20 0.38
MAP4K4 O95819 1/20 0.37
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
PLA2G10 O15496 3/20 0.37
PLA2G2A P14555 3/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G5 P39877 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
PLA2G12B Q9BX93 1/20 0.37
PLA2G12A Q9BZM1 1/20 0.37
PLA2G2F Q9BZM2 1/20 0.37
PLA2G3 Q9NZ20 1/20 0.37
PLA2G2E Q9NZK7 1/20 0.37

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
SCHEMBL3883892 0.97 SRC (0.40) C5AR1SRCYES1MAP4K4KEAP1
SCHEMBL3888318 0.90 PTGER1 (0.39) C5AR1SRCYES1KEAP1NFE2L2
SCHEMBL3882409 0.90 PTGER1 (0.42) C5AR1SRCYES1KEAP1NFE2L2
SCHEMBL3890246 0.87 PTGER1 (0.40) C5AR1SRCYES1KEAP1NFE2L2
SCHEMBL3881996 0.86 KEAP1 (0.40) C5AR1SRCYES1KEAP1NFE2L2
SCHEMBL3882579 0.85 IKBKB (0.40) C5AR1SRCYES1KEAP1NFE2L2
SCHEMBL3882520 0.84 KEAP1 (0.38) C5AR1SRCYES1KEAP1NFE2L2
SCHEMBL3884439 0.84 C5AR1 (0.42) C5AR1SRCYES1KEAP1NFE2L2
SCHEMBL3894647 0.84 C5AR1 (0.48) C5AR1SRCYES1KEAP1NFE2L2
SCHEMBL3881962 0.84 THRA (0.47) C5AR1SRCMAP4K4XDH

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