SCHEMBL5087709

SCHEMBL5087709

O=C(O)CCC(=O)OC1(O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
EGLN1 Q9GZT9 3/20 0.36
CYP2C19 P33261 2/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
MAPK1 P28482 2/20 0.31
SLC15A2 Q16348 1/20 0.30
SLC13A3 Q8WWT9 1/20 0.30
OR51E2 Q9H255 1/20 0.30

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
SCHEMBL27566834 0.92 CYP2C19 (0.37) LMNACYP2C19ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL11149812 0.89 LMNA (0.41) LMNACYP2C19ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL11149814 0.83 CYP2C19 (0.35) LMNACYP2C19SMN1; SMN2TSHR
SCHEMBL11873552 0.82 LMNA (0.43) LMNAEGLN1CYP2C19KDM6BKDM5C
SCHEMBL29214073 0.82 NAAA (0.37) LMNACYP2C19SMN1; SMN2TSHR
SCHEMBL29214071 0.82 NAAA (0.37) LMNACYP2C19SMN1; SMN2TSHR
SCHEMBL4396634 0.80 ALDH1A1 (0.43) LMNACYP2C19ALDH1A1SMN1; SMN2TSHR
SCHEMBL25397837 0.78 CYP19A1 (0.47) LMNAEGLN1CYP2C19KDM6BKDM5C
SCHEMBL29519107 0.77 NAAA (0.41) LMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL27465776 0.75 SMN1; SMN2 (0.38) LMNACYP2C19ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105542134-B A kind of lactyl aliphatic aromatic random copolymer 中国科学院长春应用化学研究所 2017-11-28 CN disclosed
CN-101223129-A Highly selective serotonin and norepinephrine dual reuptake inhibitor and use thereof WYETH CORP (US) 2008-07-16 CN disclosed
EP-1904434-A2 HIGHLY SELECTIVE SEROTONIN AND NOREPINEPHRINE DUAL REUPTAKE INHIBITOR AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-04-02 EP disclosed
WO-2007011594-A2 HIGHLY SELECTIVE SEROTONIN AND NOREPINEPHRINE DUAL REUPTAKE INHIBITOR AND USE THEREOF WYETH (US) 2007-01-25 WO disclosed