SCHEMBL3884083

SCHEMBL3884083

CC(Cc1ccc(OCC2CCCC2)c(-c2ccc3cc(S(=O)(=O)N(C)C)ccc3c2)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.39
BRD4 O60885 2/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SRC P12931 4/20 0.37
YES1 P07947 1/20 0.37
MMP3 P08254 1/20 0.37
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3894528 0.91 BRD4 (0.46) BRD4PTGDR2SRC
SCHEMBL3882579 0.90 IKBKB (0.40) RORCBRD4PTGDR2SRCYES1
SCHEMBL3883511 0.88 BRD4 (0.39) RORCBRD4ALDH1A1PTGDR2SRC
SCHEMBL3895970 0.88 SCN9A (0.39) RORCSRCYES1KEAP1NFE2L2
SCHEMBL3883607 0.86 FFAR4 (0.43) RORCBRD4ALDH1A1L3MBTL1PTGDR2
SCHEMBL3882520 0.86 KEAP1 (0.38) SRCYES1KEAP1NFE2L2PTGER1
SCHEMBL3882409 0.86 PTGER1 (0.42) SRCYES1KEAP1NFE2L2PTGER1
SCHEMBL3890246 0.85 PTGER1 (0.40) SRCYES1KEAP1NFE2L2PTGER1
SCHEMBL3882287 0.85 BRD4 (0.41) BRD4SRCYES1KEAP1NFE2L2
SCHEMBL3884439 0.84 C5AR1 (0.42) SRCYES1KEAP1NFE2L2PTGER1

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