SCHEMBL3950206

SCHEMBL3950206

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.39
PPARA Q07869 1/20 0.39
SRC P12931 7/20 0.39
YES1 P07947 1/20 0.39
FFAR1 O14842 4/20 0.38
FFAR4 Q5NUL3 1/20 0.37
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 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
SCHEMBL3680443 0.86 THRA (0.44) PPARDPPARASRCFFAR1FFAR4
SCHEMBL3882520 0.85 KEAP1 (0.38) PPARDPPARASRCYES1KEAP1
SCHEMBL3881996 0.85 KEAP1 (0.40) PPARDPPARASRCYES1FFAR1
SCHEMBL3882409 0.85 PTGER1 (0.42) PPARDPPARASRCYES1FFAR1
SCHEMBL3890246 0.84 PTGER1 (0.40) PPARDPPARASRCYES1FFAR1
SCHEMBL3883892 0.83 SRC (0.40) SRCYES1KEAP1NFE2L2C5AR1
SCHEMBL3675705 0.83 MEN1 (0.38) PPARDPPARASRCFFAR1FFAR4
SCHEMBL3884083 0.82 RORC (0.39) SRCYES1KEAP1NFE2L2KDM4E
SCHEMBL3884439 0.82 C5AR1 (0.42) SRCYES1KEAP1NFE2L2C5AR1
SCHEMBL3888318 0.82 PTGER1 (0.39) PPARDPPARASRCYES1FFAR1

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