SCHEMBL8936020

SCHEMBL8936020

CC(C)ONC(=O)c1nonc1CO

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
IKBKE Q14164 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8936009 0.85 GAA (0.37) LMNAGAASMN1; SMN2ALDH1A1TP53
SCHEMBL8936147 0.84 RAB9A (0.32) LMNAGAASMN1; SMN2ALDH1A1TP53
SCHEMBL8935987 0.78 GAA (0.33) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL8936008 0.76 KCNH2 (0.35) GAASMN1; SMN2
Hydrochloric Acid SCHEMBL8936066 0.76 GAA (0.31) GAA
SCHEMBL10000161 0.74 NPSR1 (0.46) LMNAGAASMN1; SMN2ALDH1A1TP53
SCHEMBL8936001 0.71 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL23989782 0.69 HIF1A (0.50) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL8936146 0.67 ALDH1A1 (0.45) LMNAGAASMN1; SMN2ALDH1A1TP53
SCHEMBL8936123 0.66 TP53 (0.40) GAASMN1; SMN2TP53NPC1RAB9A

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