SCHEMBL70033

SCHEMBL70033

N#CCOC(=O)c1ccc(C(=O)OCC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ESR1 P03372 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CA7 P43166 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
TDP1 Q9NUW8 5/20 0.44
SLC6A2 P23975 2/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL22767270 0.92 ESR1 (0.60) CA12CA1CA2CA9CA14
SCHEMBL22767271 0.90 GAA (0.50) TNKSCA12CA1CA2CA9
SCHEMBL22767273 0.90 TDP1 (0.53) TNKSCA12CA1CA2CA9
SCHEMBL18671095 0.90 KMT2A (0.49) TNKSCA12CA1CA2CA9
SCHEMBL13461824 0.90 LMNA (0.61) TNKSCA12CA1CA2CA9
SCHEMBL23681041 0.90 ADRB2 (0.54) TNKSCA1CA2KMT2AALDH1A1
SCHEMBL907316 0.89 TDP1 (0.59) TNKSKMT2AALDH1A1RXFP1LMNA
SCHEMBL22767268 0.88 HPGD (0.48) TNKSCA12CA1CA2CA9
SCHEMBL22767197 0.87 LOXL2 (0.58) TNKSCA12CA1CA2CA9
SCHEMBL22767201 0.87 ALDH1A1 (0.55) TNKSCA12CA1CA2CA9

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-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-7422837-B2 Photosensitive composition FUJIFILM CORPORATION (JP) 2008-09-09 US disclosed