SCHEMBL628419

SCHEMBL628419

CC(C)(C)OC(=O)N(CC(C)(C)c1ccccc1)C(=O)CN

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 5/20 0.36
AKT1 P31749 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL22361797 0.79 AKT1 (0.50) KMT2AAKT1L3MBTL1
SCHEMBL8606993 0.76 HDAC6 (0.38)
SCHEMBL7754342 0.73 L3MBTL1 (0.57) AKT1L3MBTL1
SCHEMBL7782725 0.73 L3MBTL1 (0.43) MAPTAKT1L3MBTL1
SCHEMBL1624564 0.73 KMT2A (0.40) CYP2C19HIF1ACYP3A4KMT2AAKT1
SCHEMBL4521282 0.72 L3MBTL1 (0.40) CYP2C19HIF1ACYP1A2MAPTKMT2A
SCHEMBL28768828 0.72 KIF11 (0.48) KIF11
SCHEMBL2435231 0.72 HDAC6 (0.37) KMT2AGAA
SCHEMBL3984281 0.71 HDAC6 (0.39)
SCHEMBL8426042 0.70 ALDH1A1 (0.45) MAPTKMT2AMAPK1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed