SCHEMBL8936043

SCHEMBL8936043

COC(=O)c1nonc1OCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
STAT5B P51692 1/20 0.40
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 3/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
IDO1 P14902 1/20 0.32
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8936153 0.81 ALDH1A1 (0.41) NPSR1ALDH1A1SMN1; SMN2KDM4ECA12
SCHEMBL8786752 0.78 CA12 (0.39) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL10000161 0.76 NPSR1 (0.46) NPSR1STAT5BALDH1A1POLBSMN1; SMN2
SCHEMBL8936016 0.73 HTT (0.43) ALDH1A1POLBSMN1; SMN2TSHRKMT2A
SCHEMBL22213898 0.70 NPSR1 (0.45) NPSR1STAT5BALDH1A1POLBSMN1; SMN2
SCHEMBL13343501 0.69 KMT2A (0.50) NPSR1ALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL17950597 0.69 NPSR1 (0.48) NPSR1STAT5BALDH1A1POLBSMN1; SMN2
SCHEMBL23990643 0.68 CA12 (0.46) NPSR1STAT5BALDH1A1POLBSMN1; SMN2
SCHEMBL25745155 0.68 CA9 (0.46) STAT5BALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL30281403 0.67 CA12 (0.49) ALDH1A1TSHRKMT2ACA12CA1

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