SCHEMBL3894580

SCHEMBL3894580

CC(=O)Nc1ccc2cc(-c3cc(CC(C)C(=O)O)ccc3OCC3CCCC3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.44
SRC P12931 9/20 0.43
YES1 P07947 1/20 0.43
P2RX3 P56373 2/20 0.39
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
DHODH Q02127 1/20 0.36
EPHX1 P07099 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
SCHEMBL3894647 0.92 C5AR1 (0.48) C5AR1SRCYES1P2RX3KEAP1
SCHEMBL3884439 0.91 C5AR1 (0.42) C5AR1SRCYES1P2RX3KEAP1
SCHEMBL3882287 0.88 BRD4 (0.41) C5AR1SRCYES1P2RX3KEAP1
SCHEMBL3886531 0.87 C5AR1 (0.41) C5AR1SRCYES1P2RX3KEAP1
SCHEMBL3882409 0.87 PTGER1 (0.42) C5AR1SRCYES1KEAP1NFE2L2
SCHEMBL3892374 0.87 MAPT (0.42) C5AR1
SCHEMBL3890246 0.86 PTGER1 (0.40) C5AR1SRCYES1P2RX3KEAP1
SCHEMBL3895970 0.86 SCN9A (0.39) C5AR1SRCYES1P2RX3KEAP1
SCHEMBL3882832 0.86 C5AR1 (0.46) C5AR1SRCYES1DHODH
SCHEMBL3881996 0.85 KEAP1 (0.40) C5AR1SRCYES1KEAP1NFE2L2

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