SCHEMBL9713477

SCHEMBL9713477

COc1cc(OC(C)=O)c2c([S+]([O-])Cc3ccccc3)cccc2c1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35

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
SCHEMBL9642964 0.84 ABCB11 (0.38) ALOX5HTTMAPK1ALDH1A1KDM4E
SCHEMBL9713799 0.84 ALDH1A1 (0.36) ALOX5HTTMAPK1POLBALDH1A1
SCHEMBL9713909 0.84 HTT (0.40) ALOX5HTTMAPK1POLBALDH1A1
SCHEMBL9641723 0.82 PDE4A (0.39) ALOX5HTTMAPK1ALDH1A1KDM4E
SCHEMBL9642596 0.80 PDE4A (0.39) ALOX5HTTMAPK1ALDH1A1KDM4E
SCHEMBL9713621 0.80 HTT (0.39) HTTMAPK1POLBALDH1A1KDM4E
SCHEMBL9642181 0.78 PDE4A (0.34) ALOX5MAPK1ALDH1A1KDM4EMAPT
SCHEMBL9642226 0.78 PDE4A (0.34) ALOX5MAPK1ALDH1A1KDM4EMAPT
SCHEMBL9642068 0.78 TSHR (0.34) ALOX5MAPK1ALDH1A1MAPTL3MBTL1
SCHEMBL9642389 0.78 TSHR (0.34) ALOX5MAPK1ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed