SCHEMBL9642181

SCHEMBL9642181

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALOX5 P09917 1/20 0.34
ABCB11 O95342 1/20 0.33
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ELANE P08246 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
BACE1 P56817 2/20 0.31
KLKB1 P03952 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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 1.00 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL9642964 0.93 ABCB11 (0.38) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL9642596 0.85 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL9641723 0.85 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL9642068 0.83 TSHR (0.34) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL9642389 0.83 TSHR (0.34) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL9713477 0.78 ALOX5 (0.40) ALOX5MAPTL3MBTL1BACE1ALDH1A1
SCHEMBL9644115 0.76 ABCB11 (0.39) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9641952 0.76 ABCB11 (0.40) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9642855 0.76 ABCB11 (0.42) PDE4APDE4BPDE4CPDE4DABCB11

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
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