SCHEMBL8935984

SCHEMBL8935984

O=C(NOCCCN1CCCC1=O)c1nonc1CO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 2/20 0.34
ATM Q13315 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4581970 0.68 L3MBTL1 (0.48) SMN1; SMN2L3MBTL1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL8936066 0.68 GAA (0.31) GAA
SCHEMBL14538070 0.65 TSHR (0.46) SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL8524128 0.65 PIK3CD (0.46) SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL2228403 0.65 TSHR (0.51) SMN1; SMN2L3MBTL1TSHRALDH1A1KMT2A
SCHEMBL9921226 0.64 L3MBTL1 (0.44) SMN1; SMN2L3MBTL1KMT2AMEN1RAB9A
SCHEMBL20579542 0.64 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL8936001 0.64 SMN1; SMN2 (0.37) SMN1; SMN2TSHRALDH1A1KMT2AHPGD
SCHEMBL27418304 0.64 KMT2A (0.51) SMN1; SMN2L3MBTL1TSHRALDH1A1KMT2A
SCHEMBL312170 0.63 KMT2A (0.50) TSHRKMT2AMEN1NPC1RAB9A

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