SCHEMBL9713909

SCHEMBL9713909

COc1cc(OC(C)=O)c2c([S+]([O-])c3ccccc3)cccc2c1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
GAA P10253 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
MCL1 Q07820 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPK1 P28482 1/20 0.36
CTSV O60911 1/20 0.36
TNFSF11 O14788 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
TSHR P16473 1/20 0.36
ALOX5 P09917 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 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
SCHEMBL9713353 0.90 ERO1A (0.38) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713623 0.90 TUBB4A (0.37) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713741 0.89 ABCB11 (0.39) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713621 0.87 HTT (0.39) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713691 0.84 KMT2A (0.36) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713477 0.84 ALOX5 (0.40) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9641952 0.83 ABCB11 (0.40) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713743 0.80 MAPT (0.36) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713631 0.80 KDM4E (0.35) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713799 0.80 ALDH1A1 (0.36) HTTGAAMAPTALDH1A1KMT2A

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