SCHEMBL13730262

SCHEMBL13730262

Nc1cc2c(ccc3cc(O)c(N)cc32)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 6/20 0.41
ALOX12 P18054 3/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM4 Q8TD43 1/20 0.41
PLAU P00749 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
GAA P10253 6/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL13730491 0.91 HPRT1 (0.41) ALOX15HSD17B10CYP3A4ALDH1A1ALOX12
SCHEMBL13730705 0.90 ALOX15 (0.44) ALOX15HSD17B10CYP3A4ALDH1A1ALOX12
SCHEMBL9009109 0.86 ALDH1A1 (0.40) ALOX15HSD17B10CYP3A4ALDH1A1ALOX12
SCHEMBL9009067 0.86 ALOX15 (0.43) ALOX15HSD17B10CYP3A4ALDH1A1ALOX12
SCHEMBL27312853 0.84 HPRT1 (0.63) HSD17B10CYP3A4ALDH1A1HPGDTRPM4
SCHEMBL31229508 0.81 PLAU (0.48) ALOX15HSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL7245676 0.78 ALDH1A1 (0.58) HSD17B10CYP3A4ALDH1A1HPGDTRPM4
SCHEMBL5605839 0.77 ALDH1A1 (0.46) ALOX15HSD17B10CYP3A4ALDH1A1ALOX12
SCHEMBL5606122 0.77 ALDH1A1 (0.46) ALOX15HSD17B10CYP3A4ALDH1A1ALOX12
SCHEMBL9627309 0.77 NT5E (0.45) HSD17B10ALDH1A1GAAMAPTNT5E

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-20140047976-A1 Cardo-Polybenzoxazole Polymer/Copolymer Membranes For Improved Permeability And Method For Fabricating The Same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-02-20 US disclosed
WO-2012148360-A1 CARDO-POLYBENZOXAZOLE POLYMER/COPOLYMER MEMBRANES FOR IMPROVED PERMEABILITY AND METHOD FOR FABRICATING THE SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-11-01 WO disclosed