SCHEMBL8935987

SCHEMBL8935987

COCCONC(=O)c1nonc1CO

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8936008 0.89 KCNH2 (0.35) GAASMN1; SMN2
SCHEMBL8936035 0.86 MAP2K1 (0.32) GAASMN1; SMN2
SCHEMBL8936009 0.85 GAA (0.37) GAASMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL8936154 0.84 MTNR1A (0.38) GAASMN1; SMN2ALDH1A1HTTL3MBTL1
Hydrochloric Acid SCHEMBL8936066 0.81 GAA (0.31) GAA
SCHEMBL8936146 0.77 ALDH1A1 (0.45) GAASMN1; SMN2ALDH1A1HTTTP53
SCHEMBL10000161 0.74 NPSR1 (0.46) GAASMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL8935984 0.73 SMN1; SMN2 (0.39) GAASMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL8936001 0.71 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL30281258 0.70 CA12 (0.45) ALDH1A1

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-5486531-A ANGINA, HYPOTENSIVE AGENTS, ERECTILE DYSFUNCTION CASSELLA AKTIENGESELLSCHAFT (DE) 1996-01-23 US disclosed