SCHEMBL1925699

SCHEMBL1925699

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC7A5 Q01650 1/20 0.36
ELANE P08246 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 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
SCHEMBL6606388 1.00 ATM (0.41) ATML3MBTL1KMT2ACTSSCTSK
SCHEMBL27636817 1.00 ATM (0.41) ATML3MBTL1KMT2ACTSSCTSK
SCHEMBL30065221 0.86 L3MBTL1 (0.45) ATML3MBTL1KMT2ACTSSCTSK
SCHEMBL305032 0.86 L3MBTL1 (0.45) ATML3MBTL1KMT2ACTSSCTSK
SCHEMBL594359 0.86 L3MBTL1 (0.45) ATML3MBTL1KMT2ACTSSCTSK
SCHEMBL27696367 0.86 MIF (0.36) KMT2ACTSSCTSKELANETSHR
SCHEMBL27817033 0.86 MIF (0.36) KMT2ACTSSCTSKELANETSHR
SCHEMBL27696365 0.86 MIF (0.36) KMT2ACTSSCTSKELANETSHR
Hydrochloric Acid SCHEMBL304679 0.85 ATM (0.44) ATML3MBTL1KMT2ACTSSCTSK
Hydrochloric Acid SCHEMBL595486 0.85 ATM (0.44) ATML3MBTL1KMT2ACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509941-A2 N-ACYLATED HYDROXYLAMINE DERIVATIVES AND O-ACYLATED HYDROXYLAMINE DERIVATIVES The Johns Hopkins University (US) 2012-10-17 EP disclosed
EP-2509942-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES Johns Hopkins University (US) 2012-10-17 EP disclosed
CN-102229609-A Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORP 2011-11-02 CN disclosed
CN-101031569-B Quinazolinones as human phosphatidylinositol 3-kinase delta inhibitors ICOS CORP 2011-06-22 CN disclosed
WO-2011071947-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed
WO-2011071951-A2 N-ACYLOXYSULFONAMIDE AND N-HYDROXY-N-ACYLSULFONAMIDE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN disclosed
CN-101801918-A Monoamide derivatives as orexin receptor antagonists HOFFMANN LA ROCHE 2010-08-11 CN disclosed
CN-101023079-B Substituted hydantoins for the treatment of cancer HOFFMANN LA ROCHE 2010-05-05 CN disclosed
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
CN-101031569-A Quinazolinones as human phosphatidylinositol 3-kinase delta inhibitors ICOS CORP (US) 2007-09-05 CN disclosed
CN-101023079-A Substituted hydantoins for the treatment of cancer HOFFMANN LA ROCHE (CH) 2007-08-22 CN disclosed