SCHEMBL7825856

SCHEMBL7825856

CN(C)C(=O)c1ccc2c(c1O[Si](C)(C)C(C)(C)C)OCO2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.46
AOC3 Q16853 1/20 0.34
CXCR1 P25024 3/20 0.34
CXCR2 P25025 3/20 0.34
TARBP2 Q15633 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32
PDE5A O76074 1/20 0.32
EDNRA P25101 1/20 0.32
NQO2 P16083 2/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL7817212 0.74 AOC3 (0.40) AOC3CXCR1CXCR2NPC1RAB9A
SCHEMBL13516155 0.65 ALDH1A1 (0.46) AOC3TARBP2NPC1RAB9AMAPT
SCHEMBL11770285 0.64 TARBP2 (0.44) AOC3TARBP2NPC1RAB9AMAPT
SCHEMBL13516225 0.63 KDM4E (0.40) AOC3TARBP2NPSR1
SCHEMBL6012205 0.63 PREP (0.38) PREP
SCHEMBL4882804 0.62 PREP (0.50) PREPTARBP2NPC1RAB9ANPSR1
SCHEMBL10446374 0.62 AOC3 (0.42) AOC3NPC1RAB9ANPSR1
SCHEMBL13516234 0.61 KMT2A (0.55) AOC3TARBP2NPC1RAB9AMAPT
SCHEMBL1027211 0.60 AOC3 (0.43) AOC3NPC1RAB9ANPSR1MAPT
SCHEMBL6341931 0.60 AOC3 (0.43) AOC3NPC1RAB9ANPSR1NQO2

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-0809643-B1 SYNTHESIS OF (+)-PANCRATISTATIN VIRGINIA TECH INTELL PROP (US) 2001-10-17 EP disclosed
US-5627280-A Synthesis of (+)-pancratistatin VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 1997-05-06 US disclosed