SCHEMBL9370663

SCHEMBL9370663

CCC1(c2cccc(OCc3ccc4ccccc4c3)c2)CO1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.66
ADAM17 P78536 1/20 0.52

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
SCHEMBL9366361 0.89 ALOX5 (0.74) ALOX5ADAM17
SCHEMBL9368934 0.88 ALOX5 (0.64) ALOX5ADAM17
SCHEMBL9364733 0.85 ALOX5 (0.60) ALOX5ADAM17
SCHEMBL9312759 0.85 ALOX5 (0.54) ALOX5ADAM17
SCHEMBL9583811 0.84 ALOX5 (0.66) ALOX5ADAM17
SCHEMBL9311121 0.83 ALOX5 (0.53) ALOX5ADAM17
SCHEMBL9364976 0.83 ALOX5 (0.58) ALOX5ADAM17
SCHEMBL9311728 0.83 ALOX5 (0.54) ALOX5ADAM17
SCHEMBL9364895 0.82 ALOX5 (0.57) ALOX5ADAM17
SCHEMBL9368853 0.82 ALOX5 (0.56) ALOX5ADAM17

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-0375457-B1 Cyclic ether derivatives ICI PLC (GB) 1994-03-16 EP disclosed
US-5219881-A Enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
US-5098932-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC, ICI PHARMA (FR) 1992-03-24 US disclosed
EP-0375457-A2 Cyclic ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 EP disclosed