SCHEMBL7189147

SCHEMBL7189147

CC(C)(C)OC(=O)N(CCSCc1ccccc1C#N)C(=O)N[C@H](CCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARG P37231 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
PTPN1 P18031 2/20 0.31
PTPN2 P17706 1/20 0.31
JAK2 O60674 1/20 0.31
S1PR4 O95977 1/20 0.31
HSP90AA1 P07900 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL6463254 1.00 CTSS (0.34) CTSSCTSKALDH1A1MEN1KMT2A
SCHEMBL6468282 0.91 MEN1 (0.32) ALDH1A1MEN1KMT2APTPN1PTPN2
SCHEMBL6467283 0.91 MEN1 (0.38) CTSSCTSKALDH1A1MEN1KMT2A
SCHEMBL7189139 0.83 CTSS (0.45) CTSSCTSKALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6466455 0.82 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL6462134 0.81 SMN1; SMN2 (0.34) MEN1KMT2ALMNATSHRPPARG
SCHEMBL7049540 0.80 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNATSHR
Hydrochloric Acid SCHEMBL6462052 0.80 CTSC (0.39) MEN1KMT2AMAPTL3MBTL1
SCHEMBL7189151 0.80 CTSS (0.40) CTSSCTSKALDH1A1MEN1KMT2A
SCHEMBL7042866 0.78 LMNA (0.32) LMNAPTPN1MAPT

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
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed