SCHEMBL9641986

SCHEMBL9641986

COc1c(OC)c(OC(C)=O)c2c([S+]([O-])c3ccncn3)cccc2c1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.36
ABCB11 O95342 1/20 0.35
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL9642635 0.93 NLRP3 (0.32) NLRP3ABCB11MAPK14
SCHEMBL9642631 0.93 NLRP3 (0.34) NLRP3ABCB11KDM4EMAPTATP4A
SCHEMBL9643011 0.93 NLRP3 (0.34) NLRP3ABCB11KDM4ETDP1ALDH1A1
SCHEMBL9641945 0.91 NLRP3 (0.32) NLRP3MAPK14
SCHEMBL9643466 0.91 NLRP3 (0.32) NLRP3ABCB11MAPK14
SCHEMBL9713631 0.86 KDM4E (0.35) NLRP3KDM4ETDP1ALDH1A1POLB
SCHEMBL9642069 0.79 NLRP3 (0.36) NLRP3ABCB11
SCHEMBL9641952 0.78 ABCB11 (0.40) NLRP3ABCB11KDM4ETDP1ALDH1A1
SCHEMBL9642723 0.78 ABCB11 (0.38) NLRP3ABCB11KDM4ETDP1ALDH1A1
SCHEMBL9643313 0.77 ABCB11 (0.44) NLRP3ABCB11KDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0107512-B1 1,4-ACYLOXYNAPHTHALENE DERIVATIVES, TOPICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR PREPARATION, AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-02-26 EP disclosed
US-4466981-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1984-08-21 US disclosed
EP-0107512-A1 1,4-Acyloxynaphthalene derivatives, topical compositions containing them, methods for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-05-02 EP disclosed