SCHEMBL4754336

SCHEMBL4754336

Cc1ccc(Cl)cc1C(CCCOC(N)=O)OCCO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPC1 O15118 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL498591 0.84 PSEN1 (0.37) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4757403 0.77 MAPT (0.42) GAAALDH1A1LMNAMAPTKDM4E
SCHEMBL499149 0.76 SMN1; SMN2 (0.35) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL499150 0.73 MAPT (0.38) GAAMAPTKDM4E
SCHEMBL4755992 0.68 NOS2 (0.43) KMT2AALDH1A1LMNAKDM4ETP53
SCHEMBL15107710 0.67 ALDH1A1 (0.33) GAAALDH1A1LMNAKDM4ECYP1A2
SCHEMBL499262 0.67 NOS2 (0.41) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8080309 0.67 NOS2 (0.41) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL499213 0.65 UTS2R (0.35) GAAMAPTKDM4E
SCHEMBL28963029 0.64 MEN1 (0.64) KMT2AMEN1GAAALDH1A1LMNA

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