SCHEMBL9645914

SCHEMBL9645914

CCCCCC#CCC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
APLNR P35414 2/20 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
SCHEMBL4190771 0.82 CA2 (0.47) CA2APLNR
SCHEMBL1473224 0.82 CA2 (0.47) CA2APLNR
SCHEMBL4191651 0.82 CA2 (0.47) CA2APLNR
SCHEMBL9645747 0.78 PYCR1 (0.38) CA2APLNR
SCHEMBL9644866 0.77 CYP1A2 (0.33) CA2
SCHEMBL5734584 0.72 CA2 (0.40) CA2APLNR
SCHEMBL5732344 0.71 CA2 (0.39) CA2APLNR
SCHEMBL14510201 0.70 CA2 (0.48) CA2
SCHEMBL1931055 0.69 CYP1A2 (0.38) CA2APLNR
SCHEMBL1931051 0.69 CYP1A2 (0.38) CA2APLNR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296580-B1 PHENYLENE, FURYL, AND THIENYL LEUKOTRIENE B4 ANALOGUES G.D. Searle & Co. (US) 1992-11-11 EP disclosed
US-4895869-A ANTIINFLAMMATORY C. D. SEARLE & CO. (US) 1990-01-23 US disclosed
EP-0296580-A2 Phenylene, furyl, and thienyl leukotriene B4 analogues G.D. Searle & Co. (US) 1988-12-28 EP disclosed
US-4791133-A ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1988-12-13 US disclosed