SCHEMBL16398166

SCHEMBL16398166

CCOC(=O)C(=O)Cc1cc(OC)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 3/20 0.46
CYP1A2 P05177 1/20 0.45
CTSD P07339 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP2D6 P10635 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43

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
SCHEMBL16397904 0.89 NPC1 (0.49) RAB9ANPC1CYP3A4CYP2C19MEN1
SCHEMBL18332184 0.88 RAB9A (0.49) RAB9ANPC1CYP3A4CYP2C19MEN1
SCHEMBL16277311 0.87 RAB9A (0.53) RAB9ANPC1CYP3A4CYP2C19MEN1
SCHEMBL18533364 0.85 RAB9A (0.46) RAB9ANPC1CYP3A4CYP2C19MEN1
SCHEMBL16418161 0.81 RAB9A (0.56) RAB9ANPC1CYP3A4CYP2C19MEN1
SCHEMBL16418160 0.81 RAB9A (0.56) RAB9ANPC1CYP3A4CYP2C19MEN1
SCHEMBL6291911 0.81 SIGMAR1 (0.46) RAB9ANPC1CYP3A4CYP2C19MEN1
SCHEMBL28668958 0.81 RAB9A (0.60) RAB9ANPC1CYP3A4CYP2C19MEN1
SCHEMBL1769798 0.78 RAB9A (0.41) RAB9ANPC1CYP3A4CYP2C19MEN1
SCHEMBL7641250 0.78 MAPT (0.56) RAB9ANPC1CYP3A4CYP2C19MEN1

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
EP-3004047-B1 COMPOUNDS OF '3-(5-SUBSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT LTD (IN) 2017-02-22 EP disclosed
EP-3004047-B1 COMPOUNDS OF '3-(5-SUBSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT LTD (IN) 2017-02-22 EP disclosed
EP-3004047-A1 COMPOUNDS OF '3-(5-SUSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF Anthem Biosciences Pvt Ltd (IN) 2016-04-13 EP disclosed
WO-2014195896-A1 COMPOUNDS OF '3-(5-SUSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT. LTD. (IN) 2014-12-11 WO disclosed