SCHEMBL3882287

SCHEMBL3882287

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
EP300 Q09472 1/20 0.41
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
C5AR1 P21730 1/20 0.40
CNR1 P21554 1/20 0.39
SRC P12931 7/20 0.39
YES1 P07947 1/20 0.39
P2RX3 P56373 1/20 0.38
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
CYP19A1 P11511 1/20 0.37
SCN9A Q15858 3/20 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
SCHEMBL3886531 0.92 C5AR1 (0.41) KEAP1NFE2L2C5AR1SRCYES1
SCHEMBL3895970 0.91 SCN9A (0.39) KEAP1NFE2L2C5AR1SRCYES1
SCHEMBL3884439 0.90 C5AR1 (0.42) KEAP1NFE2L2C5AR1SRCYES1
SCHEMBL3894528 0.89 BRD4 (0.46) BRD4SRC
SCHEMBL3894580 0.88 C5AR1 (0.44) KEAP1NFE2L2C5AR1SRCYES1
SCHEMBL3894647 0.87 C5AR1 (0.48) KEAP1NFE2L2C5AR1SRCYES1
SCHEMBL3883511 0.86 BRD4 (0.39) BRD4KEAP1NFE2L2C5AR1SRC
SCHEMBL3882579 0.86 IKBKB (0.40) BRD4KEAP1NFE2L2C5AR1SRC
SCHEMBL3682868 0.86 FFAR4 (0.43) BRD4EP300C5AR1CNR1SRC
SCHEMBL3882409 0.86 PTGER1 (0.42) KEAP1NFE2L2C5AR1SRCYES1

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