SCHEMBL9433848

SCHEMBL9433848

C#CCOc1ccc(C(CC)(OC)c2nccs2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.50
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
DRD2 P14416 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9375547 0.83 ALOX5 (0.56) ALOX5
SCHEMBL9434404 0.82 ALOX5 (0.58) ALOX5L3MBTL1
SCHEMBL9369871 0.82 ALOX5 (0.60) ALOX5
SCHEMBL9372791 0.81 ALOX5 (0.73) ALOX5
SCHEMBL9373150 0.81 ALOX5 (0.52) ALOX5MAOB
SCHEMBL9368571 0.80 ALOX5 (0.48) ALOX5DRD2ALDH1A1MEN1PKM
SCHEMBL9670681 0.79 ALOX5 (0.48) ALOX5MAOBMEN1KMT2AHPGD
SCHEMBL9434226 0.76 ALOX5 (0.55) ALOX5
SCHEMBL9374291 0.74 ALOX5 (0.70) ALOX5
SCHEMBL9433034 0.73 ALOX5 (0.51) ALOX5ALDH1A1KDM4EHPGD

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-5283245-A Antiinflammatory agent, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-01 US disclosed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 US disclosed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP disclosed