SCHEMBL2729488

SCHEMBL2729488

CCOC(CCC(=O)N1CCN(C(=O)OCc2ccccc2)CC1)OCC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 7/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL2852050 0.88 L3MBTL1 (0.57) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20120512 0.83 ALDH1A1 (0.56) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7658562 0.82 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15709327 0.81 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21906828 0.80 L3MBTL1 (0.67) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23693070 0.79 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13548728 0.79 L3MBTL1 (0.79) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3970912 0.79 MEN1 (0.76) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4814264 0.79 MEN1 (0.76) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7393652 0.79 MEN1 (0.76) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012057624-A1 NOVEL BICYCLIC PEPTIDE MIMETICS PEPSCAN SYSTEMS B.V. (NL) 2012-05-03 WO disclosed
WO-2012057624-A1 NOVEL BICYCLIC PEPTIDE MIMETICS PEPSCAN SYSTEMS B.V. (NL) 2012-05-03 WO disclosed