SCHEMBL8859902

SCHEMBL8859902

C[Al](Cl)Oc1c(C(C)(C)C)cc(Br)cc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
PTGS2 P35354 1/20 0.30

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
SCHEMBL28424390 0.84 PTGDR2 (0.33) PTGDR2PTGS2
SCHEMBL8859897 0.82 SMN1; SMN2 (0.43)
SCHEMBL8859887 0.80 PTGDR2 (0.33) PTGDR2
SCHEMBL727582 0.76 CA2 (0.41)
SCHEMBL28939024 0.74 PTGDR2 (0.37) PTGDR2PTGS2
SCHEMBL1304740 0.73 PTGS2 (0.50) PTGDR2PTGS2
SCHEMBL1826724 0.68 PTGDR2 (0.33) PTGDR2PTGS2
SCHEMBL4248245 0.68 GABRA1 (0.33)
SCHEMBL1530698 0.68 HSD17B10 (0.47) PTGDR2PTGS2
SCHEMBL77412 0.67 SMN1; SMN2 (0.48)

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
US-5703183-A POLYMERIZATION CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 1997-12-30 US disclosed