SCHEMBL9058964

SCHEMBL9058964

CCOC(=O)NC(CC)CCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.38
ALOX15 P16050 2/20 0.37
LMNA P02545 4/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 2/20 0.33
CYP1A2 P05177 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL27108524 0.83 TAS1R3 (0.45) SMN1; SMN2MAPK1ALOX15LMNAHTT
SCHEMBL12928698 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1ALOX15LMNAHTT
SCHEMBL9637270 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1ALOX15LMNAHTT
SCHEMBL9810150 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1ALOX15LMNAHTT
SCHEMBL3856821 0.81 CA2 (0.36) SMN1; SMN2MAPK1LMNAPOLBCA1
SCHEMBL9601275 0.80 HRH3 (0.40) SMN1; SMN2MAPK1LMNACYP4F2CYP4A11
SCHEMBL3667538 0.80 MGAM (0.40) SMN1; SMN2MAPK1LMNACYP4F2CYP4A11
SCHEMBL19337851 0.79 TDP1 (0.47) KMT2AGAACA1CA2
SCHEMBL26799152 0.79 TDP1 (0.47) KMT2AGAACA1CA2
SCHEMBL15502152 0.77 GAA (0.42) SMN1; SMN2MAPK1ALOX15LMNAHTT

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
WO-1996028157-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING L-ETRABAMINE, USES THEREOF, AND METHODS FOR PREPARING SAME LABORATOIRES JACQUES LOGEAIS (FR) 1996-09-19 WO claimed