SCHEMBL8760108

SCHEMBL8760108

CC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
EPHX1 P07099 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
SCHEMBL27468094 1.00 MAPT (0.51) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL11592383 0.88 NPC1 (0.50) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL11592388 0.86 MAPT (0.47) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL4876482 0.85 ALDH1A1 (0.49) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL513491 0.85 TSHR (0.49) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL27937254 0.84 MAPT (0.53) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL11027105 0.84 KMT2A (0.54) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL27483144 0.82 MAPT (0.48) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL8429897 0.81 MAPT (0.50) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL4312444 0.81 NPC1 (0.44) MAPTKMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116875585-A Preparation method of lipase microreactor and application of lipase microreactor in preparation of functional ester 中国农业科学院油料作物研究所 2023-10-13 CN disclosed
EP-0592552-B1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES DU PONT (US) 1997-05-28 EP disclosed
US-5596114-A ENANTIOSELECTIVE HYDROGENATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-21 US disclosed
US-5565593-A FERROCENYL-1,1'-BIS(DIETHYPHOSPHONITE); CHEMICAL INTERMEDIATES FOR PREPERATION OF PHOSPHOLANE LIGANDS AND CHIRAL COMPLEXES, USEFUL AS CATALYSTS FOR CARRYING OUT ENANTIOSELECTIVE REACTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-15 US disclosed
US-5559267-A ENANTIOMORPHS, STEREOCHEMICAL CONTROL AND ASSYMETRIC INDUCTION, HYDROGENATION OF UNSATURATED ESTERS, COORDINATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-24 US disclosed
US-5532395-A HYDROGENATION CATALYSTS ) E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-02 US disclosed
US-5386061-A Reacting a bis(primary phosphine in the presence of a strong base with a cyclic sulfate; cyclization E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-31 US disclosed
US-5329015-A Catalysts for stereospecific reactions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-12 US disclosed
WO-1993001199-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-21 WO disclosed
US-5171892-A Chiral phospholanes via chiral 1,4-diol cyclic sulfates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-15 US disclosed