SCHEMBL3894528

SCHEMBL3894528

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
PTGS2 P35354 3/20 0.40
PTGS1 P23219 1/20 0.40
SRC P12931 2/20 0.39

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
SCHEMBL3882579 0.92 IKBKB (0.40) BRD4PTGDR2SRC
SCHEMBL3884083 0.91 RORC (0.39) BRD4PTGDR2SRC
SCHEMBL3883511 0.91 BRD4 (0.39) BRD4PTGDR2SRC
SCHEMBL3882287 0.89 BRD4 (0.41) BRD4SRC
SCHEMBL3882409 0.88 PTGER1 (0.42) SRC
SCHEMBL3890246 0.87 PTGER1 (0.40) SRC
SCHEMBL3884439 0.86 C5AR1 (0.42) SRC
SCHEMBL3881996 0.86 KEAP1 (0.40) SRC
SCHEMBL3883892 0.86 SRC (0.40) SRC
SCHEMBL3886531 0.86 C5AR1 (0.41) SRC

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