SCHEMBL9713741

SCHEMBL9713741

COc1cc(OC(C)=O)c2c([S+]([O-])c3cccc(Cl)c3)cccc2c1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.39
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MCL1 Q07820 1/20 0.35
HIF1A Q16665 1/20 0.35
CTSV O60911 1/20 0.34
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33

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
SCHEMBL9713909 0.89 HTT (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9643297 0.86 ABCB11 (0.50) ABCB11KMT2AMEN1ALDH1A1MAPT
SCHEMBL9713691 0.85 KMT2A (0.36) ABCB11KMT2AMEN1ALDH1A1MAPT
SCHEMBL9713353 0.84 ERO1A (0.38) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9713623 0.84 TUBB4A (0.37) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9641946 0.83 ABCB11 (0.47) ABCB11KMT2AMEN1ALDH1A1MAPT
SCHEMBL9642688 0.81 ABCB11 (0.44) ABCB11KMT2AMEN1ALDH1A1MAPT
SCHEMBL9713621 0.81 HTT (0.39) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9642753 0.79 ABCB11 (0.43) ABCB11KMT2AALDH1A1MAPTGAA
SCHEMBL9643356 0.79 ABCB11 (0.43) ABCB11KMT2AALDH1A1MAPTGAA

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