SCHEMBL7203830

SCHEMBL7203830

O=C(c1ccccc1)N(O)CCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ADRA2C P18825 1/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
CES1 P23141 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CES2 O00748 1/20 0.41
HDAC3 O15379 1/20 0.40

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
SCHEMBL3278961 0.89 ALOX5 (0.51) ALOX5ADRA2CHPGDALDH1A1KMT2A
SCHEMBL1098842 0.83 ALDH1A1 (0.46) ALOX5ADRA2CHPGDALDH1A1L3MBTL1
SCHEMBL28592135 0.82 HPGD (0.50) ALOX5HPGDALDH1A1KMT2ACES1
SCHEMBL1246672 0.81 HDAC3 (0.45) ADRA2CHPGDALDH1A1L3MBTL1KMT2A
SCHEMBL154607 0.81 HPGD (0.53) ADRA2CHPGDALDH1A1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL27871652 0.79 HPGD (0.52) ADRA2CHPGDALDH1A1L3MBTL1KMT2A
SCHEMBL1004454 0.78 KMT2A (0.51) HPGDALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL3657378 0.78 ADRA2C (0.46) ADRA2CHPGDALDH1A1L3MBTL1KMT2A
SCHEMBL5943718 0.78 ADRA2C (0.42) ADRA2CHPGDALDH1A1L3MBTL1KMT2A
SCHEMBL7751510 0.78 ADRA2C (0.69) ADRA2CHPGDALDH1A1L3MBTL1KMT2A

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
US-10000591-B2 Catalyst system for polymerization of an olefin SAUDI BASIC INDUSTRIES CORPORATION (SA) 2018-06-19 US disclosed
US-20160311950-A1 CATALYST SYSTEM FOR POLYMERIZATION OF AN OLEFIN SAUDI BASIC INDUSTRIES CORPORATION (BA) 2016-10-27 US disclosed
EP-1303631-A2 BIOTRANSFORMATION OF BIOLOGICALLY ACTIVE COMPOUNDS MADE OF VARIOUS CLASSES OF CHEMICAL SUBSTANCES BY MEANS OF LACCASE AND MANGANESE PEROXIDASE ENZYMES Schauer, Frieder (DE) 2003-04-23 EP disclosed
WO-2001098518-A2 BIOTRANSFORMATION OF BIOLOGICALLY ACTIVE COMPOUNDS MADE OF VARIOUS CLASSES OF CHEMICAL SUBSTANCES BY MEANS OF LACCASE AND MANGANESE PEROXIDASE ENZYMES GANOMYCIN GMBH (DE) 2001-12-27 WO disclosed