SCHEMBL3659541

SCHEMBL3659541

O=C(O)c1ccccc1NN[Zr]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.53
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 1/20 0.52
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
FABP3 P05413 1/20 0.50
FABP5 Q01469 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
AGTR1 P30556 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
AKR1B10 O60218 1/20 0.47
TRPA1 O75762 1/20 0.47
ABCB11 O95342 1/20 0.47
DHFR P00374 1/20 0.47
LMNA P02545 1/20 0.47
MPO P05164 1/20 0.47

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
SCHEMBL7610425 0.87 ALDH1A1 (0.62) FABP4ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL6129413 0.79 FABP4 (0.53) FABP4ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL22914709 0.79 FABP4 (0.53) FABP4ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL2874073 0.79 FABP4 (0.63) FABP4ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL355549 0.78 FABP4 (0.80) FABP4ALDH1A1ALOX15HPGDFABP3
SCHEMBL30320327 0.78 FABP4 (0.80) FABP4ALDH1A1ALOX15HPGDFABP3
Hydrochloric Acid SCHEMBL15994566 0.78 FABP4 (0.52) FABP4ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL1170114 0.77 ALDH1A1 (0.67) FABP4ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL29365352 0.77 ALDH1A1 (0.67) FABP4ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL9777549 0.76 CYP3A4 (0.57) FABP4ALDH1A1ALOX15KMT2AMEN1

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-2220176-B1 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECH INTELLECTUAL PROPERTY LTD (IE) 2018-09-19 EP disclosed
US-20100330380-A1 Organosilane Coating Compositions and Use Thereof DUBLIN CITY UNIVERSITY (IE) 2010-12-30 US disclosed
EP-2220176-A2 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION Dublin Institute of Technology Intellectual Property Ltd (IE) 2010-08-25 EP disclosed
WO-2009069111-A2 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECHNOLOGY (IE) 2009-06-04 WO disclosed