SCHEMBL8935998

SCHEMBL8935998

CC(C)CONC(=O)c1nonc1CO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NAMPT P43490 1/20 0.33
STAT5B P51692 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 2/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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 0.82 GAA (0.37) CA12CA1CA2CA9STAT5B
SCHEMBL8936020 0.82 LMNA (0.34) LMNAGAASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8936066 0.79 GAA (0.31) CA12CA1CA2CA9GAA
SCHEMBL10000161 0.72 NPSR1 (0.46) CA12CA1CA2CA9STAT5B
SCHEMBL25745097 0.71 KMT2A (0.33) STAT5BLMNAKMT2A
SCHEMBL8936146 0.70 ALDH1A1 (0.45) CA12CA1CA2CA9NAMPT
SCHEMBL8936123 0.69 TP53 (0.40) GAASMN1; SMN2
SCHEMBL8936001 0.69 SMN1; SMN2 (0.37) SMN1; SMN2MAPTKMT2A
SCHEMBL30281258 0.68 CA12 (0.45) CA12CA1CA2CA9KMT2A
SCHEMBL8935984 0.66 SMN1; SMN2 (0.39) LMNAGAASMN1; SMN2KMT2A

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