SCHEMBL11664894

SCHEMBL11664894

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ GAA P10253 3/20 0.56
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 6/20 0.51
▸ POLB P06746 4/20 0.51
▸ PKM P14618 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL11666203 0.87 ALDH1A1 (0.58) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL11663355 0.87 MAPT (0.52) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL11665840 0.83 MAPT (0.46) ALDH1A1GAAKMT2AMAPTPOLB
SCHEMBL7270186 0.82 ALDH1A1 (0.68) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL11662417 0.81 KMT2A (0.42) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL11664357 0.81 KMT2A (0.64) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL15060886 0.80 ALDH1A1 (0.70) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL1496497 0.80 ALDH1A1 (0.70) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL15060972 0.80 ALDH1A1 (0.70) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL28531533 0.79 ALDH1A1 (0.64) ALDH1A1GAAKMT2AMEN1MAPT

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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