SCHEMBL3834367

SCHEMBL3834367

CC(=O)NC(CC(C)C)C(=O)NC([C]=O)CC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CTSL P07711 5/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 3/20 0.39
MMP2 P08253 2/20 0.39
CPA1 P15085 3/20 0.38
CPA2 P48052 3/20 0.38
CPA4 Q9UI42 3/20 0.38
CPB1 P15086 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CTSS P25774 6/20 0.38
CTSK P43235 3/20 0.36
CTSB P07858 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP14 P50281 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3365403 1.00 ALDH1A1 (0.55) ALDH1A1CTSLMMP1MMP9MMP8
SCHEMBL1006669 0.85 ALDH1A1 (0.50) ALDH1A1MMP1MEN1LMNAKMT2A
SCHEMBL1006670 0.85 ALDH1A1 (0.50) ALDH1A1MMP1MEN1LMNAKMT2A
SCHEMBL14283754 0.85 ALDH1A1 (0.53) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL9114022 0.84 CTSB (0.50) ALDH1A1CTSSCTSKCTSB
SCHEMBL15539031 0.84 CTSS (0.49) ALDH1A1CTSLMMP1MMP9MMP8
SCHEMBL3923432 0.82 CTSB (0.49) ALDH1A1CTSSCTSKCTSB
SCHEMBL2184616 0.82 MMP2 (0.39) ALDH1A1CTSLMMP9MMP8MMP2
SCHEMBL27589724 0.82 MMP9 (0.39) ALDH1A1CTSLMMP9MMP8MMP2
SCHEMBL28082201 0.82 MMP2 (0.39) ALDH1A1CTSLMMP9MMP8MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1342085-B1 NON-APOPTOTIC FORMS OF CELL DEATH AND METHODS OF MODULATION BURNHAM INST (US) 2009-09-30 EP claimed
EP-1342085-A2 NON-APOPTOTIC FORMS OF CELL DEATH AND METHODS OF MODULATION The Burnham Institute (US) 2003-09-10 EP claimed
WO-2002054066-A2 NON-APOPTOTIC FORMS OF CELL DEATH AND METHODS OF MODULATION THE BURNHAM INSTITUTE (US) 2002-07-11 WO claimed
US-20090263852-A1 NONAPOPTOTIC FORMS OF CELL DEATH AND METHODS OF MODULATION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-10-22 US disclosed
EP-1342085-B1 NON-APOPTOTIC FORMS OF CELL DEATH AND METHODS OF MODULATION BURNHAM INST (US) 2009-09-30 EP disclosed
EP-1342085-A2 NON-APOPTOTIC FORMS OF CELL DEATH AND METHODS OF MODULATION The Burnham Institute (US) 2003-09-10 EP disclosed
WO-2002054066-A2 NON-APOPTOTIC FORMS OF CELL DEATH AND METHODS OF MODULATION THE BURNHAM INSTITUTE (US) 2002-07-11 WO disclosed