SCHEMBL9367205

SCHEMBL9367205

COC1(c2cc(F)cc(S)c2)CCOC(C)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.34
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL9049332 0.90 ALOX5 (0.37) ALOX5PTGS1PTGS2
SCHEMBL9197677 0.90 ALOX5 (0.37) ALOX5PTGS1PTGS2
SCHEMBL9217627 0.84 ALOX5 (0.36) ALOX5PTGS1PTGS2
SCHEMBL9219374 0.84 ALOX5 (0.36) ALOX5PTGS1PTGS2
SCHEMBL9219196 0.84 ALOX5 (0.36) ALOX5PTGS1PTGS2
SCHEMBL9027778 0.80 ALOX5 (0.48) ALOX5PTGS1PTGS2
SCHEMBL9098611 0.80 ALOX5 (0.36) ALOX5
SCHEMBL9049077 0.76
SCHEMBL9226267 0.75 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL9210920 0.75 ALOX5 (0.52) ALOX5PTGS1PTGS2

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-0420511-B1 Heterocyclic derivatives ICI PLC (GB) 1994-08-17 EP disclosed
US-5302594-A Antiinflammatory agents; antiallergenic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-12 US disclosed
US-5221677-A For treating diseases mediated by leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-22 US disclosed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP disclosed