SCHEMBL11666203

SCHEMBL11666203

CCC(=O)SCC(O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ GAA P10253 2/20 0.54
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MAPT P10636 5/20 0.49
▸ POLB P06746 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MGLL Q99685 2/20 0.45
▸ BCL9 O00512 1/20 0.44
▸ CTNNB1 P35222 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
SCHEMBL11666077 0.88 MAPT (0.55) ALDH1A1GAAKMT2AMAPTCRHBP
SCHEMBL11664894 0.87 ALDH1A1 (0.57) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL15060886 0.81 ALDH1A1 (0.70) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL15060972 0.81 ALDH1A1 (0.70) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL1496497 0.81 ALDH1A1 (0.70) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL7270186 0.80 ALDH1A1 (0.68) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL11664192 0.79 KMT2A (0.62) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL7805047 0.79 ALDH1A1 (0.67) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL1496684 0.79 ALDH1A1 (0.67) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL1496661 0.78 ALDH1A1 (0.62) ALDH1A1GAAMEN1KMT2AMAPT

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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