SCHEMBL7963204

SCHEMBL7963204

CC(O)C=C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.38
KLK5 Q9Y337 6/20 0.38
GPR119 Q8TDV5 1/20 0.37
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
ABCB1 P08183 1/20 0.33
STS P08842 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL7960654 0.89 KLK7 (0.36) KLK7KLK5GPR119MAPK1ALDH1A1
SCHEMBL7960653 0.89 KLK7 (0.36) KLK7KLK5GPR119MAPK1ALDH1A1
SCHEMBL7279530 0.87 KLK7 (0.38) KLK7KLK5GPR119MAPK1ALDH1A1
SCHEMBL7270193 0.87 KLK7 (0.38) KLK7KLK5GPR119MAPK1ALDH1A1
SCHEMBL7279540 0.87 KLK7 (0.38) KLK7KLK5GPR119MAPK1ALDH1A1
SCHEMBL7270189 0.87 KLK7 (0.38) KLK7KLK5GPR119MAPK1ALDH1A1
SCHEMBL5833363 0.86 KLK7 (0.40) KLK7KLK5GPR119MAPK1ALDH1A1
SCHEMBL7962411 0.86 KLK7 (0.40) KLK7KLK5GPR119MAPK1ALDH1A1
SCHEMBL2175307 0.86 KLK7 (0.40) KLK7KLK5GPR119MAPK1ALDH1A1
SCHEMBL2175304 0.86 KLK7 (0.40) KLK7KLK5GPR119MAPK1ALDH1A1

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
US-6300337-B1 Acetamide derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-10-09 US disclosed
EP-1055683-A1 NOVEL ACETAMIDE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-29 EP disclosed