SCHEMBL3881996

SCHEMBL3881996

CC(Cc1ccc(OCC2CCCCC2)c(-c2ccc3cc(O)ccc3c2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
SRC P12931 8/20 0.40
YES1 P07947 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
C5AR1 P21730 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 2/20 0.38
FFAR1 O14842 1/20 0.38
XDH P47989 3/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PPARA Q07869 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
SCHEMBL3890246 0.99 PTGER1 (0.40) KEAP1NFE2L2SRCYES1PTGER1
SCHEMBL3888318 0.96 PTGER1 (0.39) KEAP1NFE2L2SRCYES1PTGER1
SCHEMBL3882409 0.90 PTGER1 (0.42) KEAP1NFE2L2SRCYES1PTGER1
SCHEMBL3883892 0.89 SRC (0.40) KEAP1NFE2L2SRCYES1PTGER1
SCHEMBL3884439 0.87 C5AR1 (0.42) KEAP1NFE2L2SRCYES1PTGER1
SCHEMBL3882520 0.87 KEAP1 (0.38) KEAP1NFE2L2SRCYES1PTGER1
SCHEMBL3894528 0.86 BRD4 (0.46) SRC
SCHEMBL3884976 0.86 PPARG (0.40) KEAP1NFE2L2SRCYES1PTGER1
SCHEMBL3882380 0.86 C5AR1 (0.38) KEAP1NFE2L2SRCYES1PTGER1
SCHEMBL3894580 0.85 C5AR1 (0.44) KEAP1NFE2L2SRCYES1C5AR1

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