SCHEMBL6139350

SCHEMBL6139350

COc1ccc(CO)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TTR P02766 4/20 0.39
CA2 P00918 1/20 0.39
LDHA P00338 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
RAD52 P43351 1/20 0.38
AR P10275 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL29215232 0.85 KDM4E (0.39) SMN1; SMN2KDM4EGAAALDH1A1CYP3A4
SCHEMBL30311415 0.85 KDM4E (0.39) SMN1; SMN2KDM4EGAAALDH1A1CYP3A4
SCHEMBL4915468 0.83 TTR (0.35) HTTTTRPPARGPPARA
Bromide SCHEMBL4434122 0.81 SIGMAR1 (0.38) SMN1; SMN2POLBHTTTTRCA2
SCHEMBL13813240 0.81 MAPT (0.35) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL13813243 0.80 MAPT (0.34) SMN1; SMN2POLBHTTTTRCA2
SCHEMBL31139295 0.80 ABCB1 (0.40) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL4707752 0.79 MAPT (0.43) HTTCA2MAPTKDM4EGAA
SCHEMBL499011 0.79 DRD2 (0.50) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL30583955 0.78 ENPP2 (0.36) NPC1RAB9ACA2L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547686-B2 Combretastatin A-3 prodrug Arizona Board of Regents, a body corporate of the State of Arizona, Acting for and on Behalf of the Arizona State University (US) 2009-06-16 US disclosed
EP-1395265-A4 COMBRETASTATIN A-3 PRODRUG UNIV ARIZONA (US) 2005-08-10 EP disclosed
EP-1395265-A2 COMBRETASTATIN A-3 PRODRUG ARIZONA BOARD OF REGENTS (US) 2004-03-10 EP disclosed
WO-2002102766-A2 COMBRETASTATIN A-3 PRODRUG ARIZONA BOARD OF REGENTS (US) 2002-12-27 WO disclosed