SCHEMBL3758731

SCHEMBL3758731

O=C(O)NC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
SLC6A3 Q01959 2/20 0.34
EPHX1 P07099 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 4/20 0.33
P2RY12 Q9H244 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
USP2 O75604 1/20 0.31
TFPI2 P48307 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
SCHEMBL7516088 0.98 HPGD (0.34) HPGDHTTSLC6A3EPHX1SMN1; SMN2
SCHEMBL8923859 0.93
Urea SCHEMBL28709977 0.88 NOS2 (0.36) HPGDHTTSMN1; SMN2MAPTKDM4E
SCHEMBL8392646 0.81 HPGD (0.34) HPGDHTTSLC6A3EPHX1SMN1; SMN2
SCHEMBL8392642 0.81 HPGD (0.34) HPGDHTTSLC6A3EPHX1SMN1; SMN2
SCHEMBL4502935 0.79 HDAC8 (0.43) HPGDHTTEPHX1SMN1; SMN2MAPT
SCHEMBL12605720 0.78 HPGD (0.36) HPGDHTTSLC6A3EPHX1SMN1; SMN2
SCHEMBL15530058 0.78 EPHX1 (0.34) HPGDHTTEPHX1SMN1; SMN2NPC1
SCHEMBL31680286 0.78 HPGD (0.36) HPGDHTTEPHX1SMN1; SMN2NPC1
SCHEMBL12377981 0.76 SMN1; SMN2 (0.38) HPGDHTTEPHX1SMN1; SMN2NPC1

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-2023222115-A1 HYDROXYAMIDE DERIVATIVE AND USE THEREOF 四川汇宇制药股份有限公司 2023-11-23 WO disclosed
WO-2010138889-A1 PEPTIDES FOR THE TREATMENT OF HCV INFECTIONS CONCERT PHARMACEUTICALS, INC. (US) 2010-12-02 WO disclosed