SCHEMBL166442

SCHEMBL166442

COC(=O)c1cccc(C(=O)O)c1NCS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CFTR P13569 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PTPRC P08575 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL5186951 0.91 ALOX15 (0.43) KDM4EALDH1A1HSD17B10CA1CA2
SCHEMBL4752382 0.84 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10CA1CA2
SCHEMBL647371 0.77 KDM4E (0.67) KDM4EGLAALDH1A1CFTRHSD17B10
SCHEMBL27597208 0.76 KDM4E (0.55) KDM4EALDH1A1CFTRHSD17B10KMT2A
SCHEMBL4751298 0.73 ALDH1A1 (0.60) KDM4EGLAALDH1A1HSD17B10KMT2A
SCHEMBL14575778 0.73 TSHR (0.56) KDM4EALDH1A1CFTRHSD17B10KMT2A
SCHEMBL31634613 0.71 ALDH1A1 (0.58) KDM4EGLAALDH1A1CFTRHSD17B10
SCHEMBL465737 0.71 ALDH1A1 (0.58) KDM4EGLAALDH1A1CFTRHSD17B10
SCHEMBL8591498 0.70 ALOX15 (0.50) KDM4EALDH1A1CFTRHSD17B10KMT2A
SCHEMBL28476762 0.70 MAPT (0.55) KDM4EALDH1A1HSD17B10CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 — — EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 — — WO disclosed
Send feedback