SCHEMBL9219196

SCHEMBL9219196

CO[C@]1(c2cc(O)cc(F)c2)CCO[C@@H](C)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.36
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL9217627 1.00 ALOX5 (0.36) ALOX5PTGS1PTGS2
SCHEMBL9219374 1.00 ALOX5 (0.36) ALOX5PTGS1PTGS2
SCHEMBL9197677 0.90 ALOX5 (0.37) ALOX5PTGS1PTGS2
SCHEMBL9049332 0.90 ALOX5 (0.37) ALOX5PTGS1PTGS2
SCHEMBL9222744 0.86 ALOX5 (0.37) ALOX5
SCHEMBL9222750 0.86 ALOX5 (0.37) ALOX5
SCHEMBL9367205 0.84 ALOX5 (0.34) ALOX5PTGS1PTGS2
SCHEMBL9212906 0.84
SCHEMBL9227921 0.84 CCR2 (0.32)
SCHEMBL9227917 0.84 CCR2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385662-B1 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LTD (GB) 1995-12-13 EP disclosed
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed