SCHEMBL8936035

SCHEMBL8936035

O=C(NOCCCO)c1nonc1CO

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.32
IDO1 P14902 1/20 0.31
HDAC3 O15379 4/20 0.31
HDAC4 P56524 4/20 0.31
HDAC1 Q13547 4/20 0.31
HDAC7 Q8WUI4 4/20 0.31
HDAC2 Q92769 4/20 0.31
HDAC10 Q969S8 4/20 0.31
HDAC11 Q96DB2 4/20 0.31
HDAC8 Q9BY41 4/20 0.31
HDAC6 Q9UBN7 4/20 0.31
HDAC9 Q9UKV0 4/20 0.31
HDAC5 Q9UQL6 4/20 0.31
GAA P10253 2/20 0.30
SMN1; SMN2 Q16637 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 0.91 KCNH2 (0.35) MAP2K1GAASMN1; SMN2
SCHEMBL8935987 0.86 GAA (0.33) GAASMN1; SMN2
SCHEMBL8936009 0.80 GAA (0.37) GAASMN1; SMN2
Hydrochloric Acid SCHEMBL8936066 0.77 GAA (0.31) GAA
SCHEMBL8935984 0.77 SMN1; SMN2 (0.39) GAASMN1; SMN2
SCHEMBL8936146 0.73 ALDH1A1 (0.45) GAASMN1; SMN2
SCHEMBL10000161 0.70 NPSR1 (0.46) GAASMN1; SMN2
SCHEMBL8936001 0.70 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL30281258 0.69 CA12 (0.45)
SCHEMBL23989782 0.65 HIF1A (0.50) GAASMN1; SMN2

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