SCHEMBL11664178

SCHEMBL11664178

CC(=O)OC(CS)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KCNH2 Q12809 1/20 0.47
▸ ACHE P22303 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ PTGS2 P35354 1/20 0.44

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
SCHEMBL11665839 0.88 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL11664713 0.87 MAPT (0.48) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL11665934 0.86 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL14515262 0.86 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL14515256 0.86 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL11665109 0.84 MAPT (0.49) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL11664401 0.82 RAB9A (0.42) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL11665607 0.77 MAPT (0.49) MAPTCRHBPCRHR2L3MBTL1KCNH2
SCHEMBL11666008 0.76 AR (0.57) MAPTCRHBPCRHR2L3MBTL1GAA
SCHEMBL11665323 0.76 MAPT (0.48) MAPTCRHBPCRHR2KCNH2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 — — US disclosed
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