SCHEMBL3884976

SCHEMBL3884976

CC(Cc1ccc(OCC2CCCCC2)c(-c2ccc3cc[nH]c3c2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
C5AR1 P21730 1/20 0.38
VCP P55072 2/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
SRC P12931 6/20 0.38
YES1 P07947 1/20 0.38
XDH P47989 3/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MTOR P42345 1/20 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
BRD4 O60885 1/20 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
SCHEMBL3884668 0.93 PTGS2 (0.42) C5AR1VCPKEAP1NFE2L2SRC
SCHEMBL3881996 0.86 KEAP1 (0.40) PPARGC5AR1KEAP1NFE2L2SRC
SCHEMBL3884956 0.86 HPGD (0.39) PPARGC5AR1KEAP1NFE2L2SRC
SCHEMBL3882409 0.86 PTGER1 (0.42) PPARGC5AR1KEAP1NFE2L2SRC
SCHEMBL3890246 0.85 PTGER1 (0.40) PPARGC5AR1KEAP1NFE2L2SRC
SCHEMBL3883892 0.84 SRC (0.40) PPARGC5AR1KEAP1NFE2L2SRC
SCHEMBL3888318 0.84 PTGER1 (0.39) PPARGC5AR1KEAP1NFE2L2SRC
SCHEMBL3883492 0.84 THRA (0.47) C5AR1VCPXDHFFAR4MTOR
SCHEMBL3886879 0.84 BRD4 (0.42) KEAP1NFE2L2SRCYES1PTGER1
SCHEMBL3883008 0.84 PTGS2 (0.41) C5AR1VCPKEAP1NFE2L2XDH

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