SCHEMBL7908561

SCHEMBL7908561

CC(C)C(=O)OCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.47
ALOX5 P09917 3/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
ESR1 P03372 1/20 0.44
ATM Q13315 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 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
SCHEMBL11516219 0.81 NPC1 (0.56) NPC1GAAALOX5MAPTSMN1; SMN2
SCHEMBL27764131 0.81 NPC1 (0.56) NPC1GAAALOX5SMN1; SMN2CYP3A4
SCHEMBL9733791 0.81 NPC1 (0.55) NPC1GAAALOX5MAPTNPSR1
SCHEMBL4420391 0.81 ESR1 (0.58) NPC1ALOX5SMN1; SMN2CYP3A4PTPN2
SCHEMBL11358519 0.80 ESR1 (0.62) NPC1ALOX5SMN1; SMN2CYP3A4L3MBTL1
SCHEMBL3455024 0.79 NPC1 (0.51) NPC1ALOX5MAPTNPSR1SMN1; SMN2
SCHEMBL3310239 0.79 NPC1 (0.51) NPC1ALOX5MAPTNPSR1SMN1; SMN2
SCHEMBL1114367 0.79 NPC1 (0.79) NPC1ALOX5MAPTSMN1; SMN2CYP3A4
SCHEMBL7512104 0.79 NPC1 (0.54) NPC1ALOX5MAPTNPSR1SMN1; SMN2
SCHEMBL9676771 0.79 ESR1 (0.68) NPC1ALOX5MAPTALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200831-B1 HEAT-CURING A COATING OF A POLYAMIC ACID BASED ON A TETRACARBOXYLIC ACID AND A DIAMINE CONTAINNG AN ACTIVE OXYGEN OR NITROGEN FUNCTIONAL GROUP; SEALING THE EXTERNAL TERMINALS WITH A RESIN, E.G. AN EPOXIDE HITACHI, LTD. (JP) 2001-03-13 US disclosed
US-6087006-A SEMICONDUCTOR DEVICE HAVING SURFACE-PROTECTING FILM COMPRISING POLYIMIDE OBTAINED BY HEAT-CURING PRECURSOR HAVING POLAR SUBSTITUENTS AS THE SIDE CHAINS HITACHI, LTD. (JP) 2000-07-11 US disclosed