SCHEMBL6982226

SCHEMBL6982226

CC(C)(C)OC(=O)N(CC(=O)O)c1nccs1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
GSTO1 P78417 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
F2 P00734 2/20 0.34
FFAR2 O15552 1/20 0.34
METAP1 P53582 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SLC6A9 P48067 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL3654697 0.86 TRPM8 (0.39) TRPM8GAATSHRGSTO1MEN1
SCHEMBL4840789 0.85 PKM (0.40) TRPM8GAATSHRGSTO1MEN1
SCHEMBL8091312 0.79 ALDH1A1 (0.38) TRPM8GAATSHRMEN1KMT2A
SCHEMBL19861616 0.79 TRPM8 (0.35) TRPM8GAATSHRMEN1KMT2A
SCHEMBL3069954 0.78 METAP1 (0.36) TRPM8GAATSHRMEN1KMT2A
SCHEMBL1585657 0.78 FFAR2 (0.43) TRPM8GAATSHRFFAR2METAP1
SCHEMBL15740655 0.77 TRPM8 (0.36) TRPM8GAATSHRMEN1KMT2A
SCHEMBL27567713 0.77 METAP1 (0.36) TRPM8GAATSHRMEN1KMT2A
SCHEMBL19015200 0.76 TRPM8 (0.33) TRPM8GAATSHRMEN1KMT2A
SCHEMBL21505859 0.76 SCN1A (0.53) TRPM8GAATSHRMEN1KMT2A

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-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed