SCHEMBL3310239

SCHEMBL3310239

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
ALOX5 P09917 3/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
CYP3A4 P08684 1/20 0.42
ESR1 P03372 1/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 1/20 0.41
ADRB2 P07550 1/20 0.41

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
SCHEMBL7908561 0.79 NPC1 (0.54) NPC1MAPTNPSR1L3MBTL1KDM4E
SCHEMBL11516219 0.79 NPC1 (0.56) NPC1MAPTL3MBTL1ALDH1A1POLB
SCHEMBL12310111 0.79 ESR1 (0.50) NPC1MAPTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL4420391 0.79 ESR1 (0.58) NPC1SMN1; SMN2ALOX5PTPN2PTPN1
SCHEMBL9733791 0.79 NPC1 (0.55) NPC1MAPTNPSR1L3MBTL1KDM4E
SCHEMBL11358519 0.78 ESR1 (0.62) NPC1L3MBTL1ALDH1A1SMN1; SMN2ALOX5
SCHEMBL3455024 0.77 NPC1 (0.51) NPC1MAPTNPSR1L3MBTL1KDM4E
SCHEMBL1114367 0.77 NPC1 (0.79) NPC1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL9676771 0.77 ESR1 (0.68) NPC1MAPTALDH1A1ALOX5ESR1
SCHEMBL7512104 0.77 NPC1 (0.54) NPC1MAPTNPSR1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100103358-A1 HYBRID POLYMER MATERIALS FOR LIQUID CRYSTAL ALIGNMENT LAYERS ELSICON, INC. (US) 2010-04-29 US disclosed
US-20100103358-A1 HYBRID POLYMER MATERIALS FOR LIQUID CRYSTAL ALIGNMENT LAYERS ELSICON, INC. (US) 2010-04-29 US disclosed
US-20100103358-A1 HYBRID POLYMER MATERIALS FOR LIQUID CRYSTAL ALIGNMENT LAYERS ELSICON, INC. (US) 2010-04-29 US disclosed
US-7632875-B2 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. (US) 2009-12-15 US disclosed
US-7632875-B2 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. (US) 2009-12-15 US disclosed
US-7632875-B2 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. (US) 2009-12-15 US disclosed
US-20060051524-A1 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. 2006-03-09 US disclosed