SCHEMBL9713743

SCHEMBL9713743

COc1cc(OC(C)=O)c2c([S+]([O-])c3ncc[nH]3)cccc2c1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MCL1 Q07820 1/20 0.36
HIF1A Q16665 1/20 0.36
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
HTT P42858 2/20 0.33
CTSV O60911 1/20 0.32
TUBB4A P04350 3/20 0.32
TUBB P07437 3/20 0.32
TUBA3C P0DPH7 3/20 0.32
TUBA1B P68363 3/20 0.32
TUBA4A P68366 3/20 0.32
TUBB4B P68371 3/20 0.32
TUBB3 Q13509 3/20 0.32
TUBB2A Q13885 3/20 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
SCHEMBL9642069 0.86 NLRP3 (0.36) SLC22A6NLRP3
SCHEMBL9641728 0.83 NLRP3 (0.34) SLC22A6CTSVNLRP3
SCHEMBL9643123 0.81 NLRP3 (0.34) SLC22A6CTSVNLRP3
SCHEMBL9713631 0.80 KDM4E (0.35) MAPTKMT2AL3MBTL1GAAMEN1
SCHEMBL9713909 0.80 HTT (0.40) MAPTKMT2AL3MBTL1GAAMEN1
SCHEMBL9713741 0.79 ABCB11 (0.39) MAPTKMT2AL3MBTL1GAAMEN1
SCHEMBL9644132 0.79 CCNB2 (0.32) NLRP3
SCHEMBL9643111 0.79 CCNB2 (0.32) NLRP3
SCHEMBL9713691 0.79 KMT2A (0.36) MAPTKMT2AL3MBTL1GAAMEN1
SCHEMBL9713621 0.79 HTT (0.39) MAPTKMT2AL3MBTL1GAAMEN1

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