SCHEMBL11663355

SCHEMBL11663355

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

nearest known ligand 0.56

Predicted protein targets (top 12)

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
▸ ACHE P22303 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ GAA P10253 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KCNH2 Q12809 1/20 0.47
▸ MAOB P27338 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL11666077 0.88 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ACHE
SCHEMBL11664894 0.87 ALDH1A1 (0.57) MAPTGAAALDH1A1MAOBMEN1
SCHEMBL11665109 0.84 MAPT (0.49) MAPTCRHBPCRHR2L3MBTL1ACHE
SCHEMBL11659747 0.82 RAB9A (0.42) MAPTL3MBTL1GAAALDH1A1MEN1
SCHEMBL11664047 0.81 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ACHE
SCHEMBL14515255 0.81 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ACHE
SCHEMBL14515253 0.81 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ACHE
SCHEMBL14515285 0.80 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1ACHE
SCHEMBL5044155 0.79 GAA (0.53) MAPTCRHBPCRHR2L3MBTL1ACHE
SCHEMBL14515208 0.79 GAA (0.53) MAPTCRHBPCRHR2L3MBTL1ACHE

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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