SCHEMBL7960653

SCHEMBL7960653

CC(/C=C/[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.36
KLK5 Q9Y337 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
MAPK1 P28482 1/20 0.33
ABCB1 P08183 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRMT5 O14744 1/20 0.32
YAP1 P46937 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
RORC P51449 1/20 0.32
SYK P43405 1/20 0.32
PPARA Q07869 1/20 0.32
GHSR Q92847 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 1.00 KLK7 (0.36) KLK7KLK5GPR119MAPK1ABCB1
SCHEMBL7963204 0.89 KLK7 (0.38) KLK7KLK5GPR119MAPK1ABCB1
SCHEMBL7279530 0.83 KLK7 (0.38) KLK7KLK5GPR119MAPK1ABCB1
SCHEMBL7270193 0.83 KLK7 (0.38) KLK7KLK5GPR119MAPK1ABCB1
SCHEMBL7279540 0.83 KLK7 (0.38) KLK7KLK5GPR119MAPK1ABCB1
SCHEMBL7270189 0.83 KLK7 (0.38) KLK7KLK5GPR119MAPK1ABCB1
SCHEMBL5833363 0.83 KLK7 (0.40) KLK7KLK5GPR119MAPK1ABCB1
SCHEMBL7962411 0.83 KLK7 (0.40) KLK7KLK5GPR119MAPK1ABCB1
SCHEMBL2175304 0.83 KLK7 (0.40) KLK7KLK5GPR119MAPK1ABCB1
SCHEMBL2175307 0.83 KLK7 (0.40) KLK7KLK5GPR119MAPK1ABCB1

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