SCHEMBL4753686

SCHEMBL4753686

CNC(CCOCCNC(=O)OC)c1cc(Cl)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
ALPG P10696 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
REN P00797 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4755995 0.91 PYGL (0.38) PYGLHPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL4753692 0.81 HTT (0.42) HPGDLMNASMN1; SMN2MAPTTP53
SCHEMBL499262 0.77 NOS2 (0.41) PYGLL3MBTL1HPGDLMNAALDH1A1
SCHEMBL8080309 0.77 NOS2 (0.41) PYGLL3MBTL1HPGDLMNAALDH1A1
SCHEMBL4754003 0.72 SLC6A4 (0.44) HPGDLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL4756964 0.72 REN (0.41) LMNASMN1; SMN2MAPTRENTSHR
SCHEMBL4754375 0.72 HTT (0.43) HPGDLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL4757031 0.71 EPHX2 (0.41) LMNASMN1; SMN2MAPTRENTSHR
SCHEMBL15107593 0.71 L3MBTL1 (0.38) PYGLL3MBTL1HPGDALDH1A1SMN1; SMN2
SCHEMBL2027998 0.68 MRGPRX4 (0.40) LMNAALDH1A1SMN1; SMN2MAPTREN

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
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed