SCHEMBL18930768

SCHEMBL18930768

CCOC(=O)CNC(=O)C(CC(C)C)NC(=O)CC[C@H](NC(C)=O)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
CAPN9 O14815 1/20 0.40
CTSL P07711 2/20 0.39
CAPN1 P07384 2/20 0.39
LMNA P02545 1/20 0.39
CTSB P07858 1/20 0.39
CTSG P08311 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NOD1 Q9Y239 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NOD2 Q9HC29 1/20 0.36
FURIN P09958 1/20 0.36
PPID Q08752 1/20 0.36
GLO1 Q04760 2/20 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
SCHEMBL21265876 0.88 ALDH1A1 (0.49) CAPN9CTSLCAPN1LMNACTSB
SCHEMBL18930970 0.87 KMT2A (0.53) KMT2APOLBL3MBTL1GAAALDH1A1
SCHEMBL18930971 0.86 KMT2A (0.52) KMT2APOLBL3MBTL1GAAALDH1A1
SCHEMBL24301981 0.80 CAPN9 (0.38) KMT2APOLBL3MBTL1CAPN9CTSL
SCHEMBL23619298 0.77 ALDH1A1 (0.46) CAPN9CTSLCAPN1LMNACTSB
SCHEMBL23619297 0.77 ALDH1A1 (0.49) CAPN9CTSLCAPN1LMNACTSB
SCHEMBL19709623 0.76 KMT2A (0.61) KMT2APOLBL3MBTL1GAANOD1
SCHEMBL19709653 0.76 KMT2A (0.61) KMT2APOLBL3MBTL1GAANOD1
SCHEMBL21248160 0.75 ALDH1A1 (0.53) CTSLCAPN1CTSBALDH1A1
SCHEMBL21248161 0.75 ALDH1A1 (0.53) CTSLCAPN1CTSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017093543-A2 ANTI-BACTERIAL COMPOUNDS AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed