SCHEMBL5513822

SCHEMBL5513822

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
APAF1 O14727 1/20 0.47
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5 P09917 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
KDM1A O60341 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL7365794 1.00 ACP3 (0.50) ACP3KDM4EALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL5967058 0.98 ACP3 (0.53) ACP3KDM4EALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL5967292 0.98 ACP3 (0.53) ACP3KDM4EALDH1A1HSD17B10LMNA
SCHEMBL7402142 0.85 ACACB (0.50) KDM4EALDH1A1LMNAHPGDSIGMAR1
SCHEMBL7316408 0.85 LMNA (0.50) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL6155794 0.84 APAF1 (0.55) ACP3KDM4EALDH1A1HSD17B10LMNA
SCHEMBL6809827 0.84 APAF1 (0.55) ACP3KDM4EALDH1A1HSD17B10LMNA
SCHEMBL18722284 0.84 APAF1 (0.55) ACP3KDM4EALDH1A1HSD17B10LMNA
SCHEMBL3823989 0.84 APAF1 (0.55) ACP3KDM4EALDH1A1HSD17B10LMNA
SCHEMBL2481352 0.84 APAF1 (0.55) ACP3KDM4EALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799645-A2 PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-06-27 EP disclosed
WO-2006034004-A2 PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed