SCHEMBL20144711

SCHEMBL20144711

OC[C@@H](NC1CCCCC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.51
ADRB2 P07550 9/20 0.50
KMT2A Q03164 1/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
MGAM O43451 2/20 0.47
SI P14410 2/20 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
SCHEMBL20144687 0.98 GAA (0.56) GAAL3MBTL1NPC1ADRB2KMT2A
SCHEMBL8084473 0.83 SOS1 (0.53) GAAL3MBTL1KCNQ3KCNQ2MGAM
SCHEMBL8592176 0.83 GAA (0.54) GAAL3MBTL1NPC1KMT2AKDM4E
SCHEMBL28915065 0.81 GAA (0.56) GAAL3MBTL1NPC1KMT2AKDM4E
SCHEMBL10625060 0.80 GAA (0.51) GAAL3MBTL1NPC1ADRB2KMT2A
SCHEMBL2092719 0.78 MGAM (0.43) NPC1KCNQ3KCNQ2MGAMSI
SCHEMBL2093243 0.78 MGAM (0.43) NPC1KCNQ3KCNQ2MGAMSI
SCHEMBL4486176 0.76 GAA (0.63) GAAL3MBTL1NPC1KMT2AKDM4E
SCHEMBL16180045 0.76 GAA (0.63) GAAL3MBTL1KDM4E
SCHEMBL14848196 0.76 GAA (0.63) GAAL3MBTL1KDM4E

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
EP-2448956-B1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS CENTRE NAT RECH SCIENT (FR) 2018-05-16 EP disclosed