SCHEMBL9440209

SCHEMBL9440209

COC1(c2cccc(Sc3ccc(C(=O)c4ccccc4)cc3)c2)CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.43
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9440369 0.91 ALOX5 (0.45) ALOX5ALDH1A1HPGDMAPT
SCHEMBL9049501 0.89 HPGD (0.47) ALOX5ALDH1A1HPGDMAPT
SCHEMBL9047280 0.86 ALOX5 (0.46) ALOX5HPGD
SCHEMBL9440163 0.82 ALOX5 (0.42) ALOX5
SCHEMBL9076633 0.82 ALOX5 (0.40) ALOX5MAPT
SCHEMBL9076627 0.82 ALOX5 (0.40) ALOX5MAPT
SCHEMBL9076631 0.82 ALOX5 (0.40) ALOX5MAPT
SCHEMBL9268618 0.81 ALOX5 (0.42) ALOX5
SCHEMBL9380924 0.81 ALOX5 (0.43) ALOX5NPSR1MAPT
SCHEMBL9380927 0.81 ALOX5 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276037-A Antiinflammatory agents, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-04 US disclosed
US-5272173-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-21 US disclosed
US-5225438-A Lipoxygenase inhibitors for antiinflammatory agents or antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0488602-A1 Aryl derivatives ZENECA LIMITED (GB) 1992-06-03 EP disclosed