SCHEMBL9229588

SCHEMBL9229588

CCC1CC(O)(c2cc(F)cc(OCc3ccc4ccccc4c3)c2)CO1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.48
ADAM17 P78536 1/20 0.41

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
SCHEMBL9226321 0.91 ALOX5 (0.52) ALOX5
SCHEMBL9224484 0.84 ALOX5 (0.51) ALOX5
SCHEMBL9224956 0.81 ALOX5 (0.56) ALOX5
SCHEMBL9224721 0.79 ALOX5 (0.42) ALOX5ADAM17
SCHEMBL9221365 0.79 ALOX5 (0.55) ALOX5ADAM17
SCHEMBL9221375 0.79 ALOX5 (0.55) ALOX5ADAM17
SCHEMBL9221371 0.78 ALOX5 (0.68) ALOX5
Ethylene Glycol SCHEMBL9129185 0.73 ALOX5 (0.54) ALOX5
SCHEMBL9127217 0.72 ALOX5 (0.56) ALOX5
SCHEMBL9127208 0.72 ALOX5 (0.56) ALOX5

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
US-5403859-A PHENYLENE-CYCLIC ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-04 US disclosed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed