SCHEMBL28874666

SCHEMBL28874666

O=C(O)CC(O)C(=O)OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.41
CYP2C19 P33261 1/20 0.40
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP19A1 P11511 2/20 0.37
FFAR1 O14842 1/20 0.36
NAAA Q02083 2/20 0.36
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
ANPEP P15144 2/20 0.34
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34
NPEPPS P55786 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 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
SCHEMBL5050116 0.98 L3MBTL1 (0.54) L3MBTL1SMN1; SMN2CYP2C19EPHX1ALDH1A1
SCHEMBL6906185 0.92 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2CYP2C19ALDH1A1SLC22A6
SCHEMBL5050113 0.83 CYP2C19 (0.50) L3MBTL1SMN1; SMN2CYP2C19EPHX1CYP19A1
SCHEMBL18175919 0.82 EPHX1 (0.41) L3MBTL1SMN1; SMN2CYP2C19EPHX1CYP19A1
SCHEMBL11177126 0.81 L3MBTL1 (0.42) L3MBTL1CYP2C19EPHX1CYP19A1NAAA
SCHEMBL9809371 0.80 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2CYP2C19EPHX1CYP19A1
SCHEMBL9809379 0.80 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2CYP2C19EPHX1ALDH1A1
SCHEMBL17026692 0.80 EPHX1 (0.44) L3MBTL1SMN1; SMN2CYP2C19EPHX1CYP19A1
SCHEMBL7780245 0.79 L3MBTL1 (0.54) L3MBTL1CYP2C19EPHX1ALDH1A1CYP19A1
SCHEMBL7780247 0.79 L3MBTL1 (0.54) L3MBTL1CYP2C19EPHX1ALDH1A1CYP19A1

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
CN-109988073-A The method of chiral resolution preparation single configuration 3- amino cyclopentyl alcohol 上海迪赛诺药业股份有限公司 2019-07-09 CN disclosed