SCHEMBL9644115

SCHEMBL9644115

COC(=O)C[S+]([O-])c1cccc2c(OC(C)=O)c(OC)c(OC)c(OC(C)=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.39
KDM4E B2RXH2 6/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 6/20 0.32
MAPT P10636 5/20 0.32
GAA P10253 4/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL9643056 0.92 ABCB11 (0.36) ABCB11KDM4ECYP1A2CYP2C9IDO1
SCHEMBL9642053 0.92 PDE4A (0.35) ABCB11KDM4ECYP1A2CYP2C9IDO1
SCHEMBL9642699 0.91 ABCB11 (0.33) ABCB11KDM4EKMT2ARECQLMEN1
SCHEMBL9641896 0.91 ABCB11 (0.33) ABCB11KDM4EKMT2ARECQLMEN1
SCHEMBL9642780 0.90 ABCB11 (0.33) ABCB11KDM4ECYP1A2CYP2C9IDO1
SCHEMBL9643162 0.90 ABCB11 (0.31) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9713799 0.84 ALDH1A1 (0.36) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL9642964 0.82 ABCB11 (0.38) ABCB11KDM4ECYP1A2CYP2C9IDO1
SCHEMBL10783120 0.81 CTSV (0.33)
SCHEMBL9641952 0.78 ABCB11 (0.40) ABCB11KDM4ECYP1A2CYP2C9IDO1

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