SCHEMBL9642964

SCHEMBL9642964

COc1c(OC)c(OC(C)=O)c2c([S+]([O-])Cc3ccccc3)cccc2c1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35
BACE1 P56817 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
IDO1 P14902 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 2/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9642226 0.93 PDE4A (0.34) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642181 0.93 PDE4A (0.34) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9641723 0.92 PDE4A (0.39) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642596 0.92 PDE4A (0.39) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642389 0.90 TSHR (0.34) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL9642068 0.90 TSHR (0.34) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9713477 0.84 ALOX5 (0.40) ALOX5KDM4EALDH1A1MAPK1HPGD
SCHEMBL9644115 0.82 ABCB11 (0.39) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9641952 0.82 ABCB11 (0.40) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9643224 0.78 ABCB11 (0.39) ABCB11PDE4APDE4BPDE4CPDE4D

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