SCHEMBL4033681

SCHEMBL4033681

CC(C)(C)OC(=O)NC1CCCCC1NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.54
EPHX1 P07099 1/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
PDE4B Q07343 1/20 0.52
SYK P43405 1/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
CTSL P07711 1/20 0.51
CASP3 P42574 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL3563686 0.97 KMT2A (0.56) CPB1EPHX1KMT2AL3MBTL1ALDH1A1
SCHEMBL30441712 0.91 KMT2A (0.53) CPB1EPHX1KMT2AL3MBTL1ALDH1A1
SCHEMBL3898660 0.90 ALDH1A1 (0.65) CPB1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL3888143 0.90 ALDH1A1 (0.61) CPB1EPHX1KMT2AL3MBTL1ALDH1A1
SCHEMBL3888150 0.90 ALDH1A1 (0.61) CPB1EPHX1KMT2AL3MBTL1ALDH1A1
SCHEMBL3898666 0.90 ALDH1A1 (0.65) CPB1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL6612597 0.89 EPHX1 (0.63) CPB1EPHX1KMT2AALDH1A1GAA
SCHEMBL10137650 0.88 CPB1 (0.56) CPB1KMT2AL3MBTL1ALDH1A1PDE4B
SCHEMBL12873056 0.88 CPB1 (0.56) CPB1KMT2AL3MBTL1ALDH1A1PDE4B
SCHEMBL4358020 0.87 ALDH1A1 (0.50) CPB1EPHX1KMT2AL3MBTL1ALDH1A1

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-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed