SCHEMBL10033154

SCHEMBL10033154

COc1ccc(C(c2ccc(C#C[Si](C)(C)C)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.46
KCNH2 Q12809 1/20 0.40
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL673162 0.89 APP (0.55) APPKCNH2MAPTCYP3A4CA12
SCHEMBL714294 0.87 APP (0.59) APPKCNH2CA12CA1CA2
SCHEMBL437002 0.87 RARB (0.37)
SCHEMBL27133978 0.87 APP (0.43) APPKCNH2MAPTTP53CYP3A4
SCHEMBL27133977 0.87 APP (0.47) APPKCNH2MAPTTP53CYP3A4
SCHEMBL7994765 0.81 APP (0.47) APPKCNH2CA12CA1CA2
SCHEMBL12788166 0.80 CYP1A1 (0.39)
SCHEMBL14822799 0.80 CYP1A1 (0.39)
SCHEMBL10032997 0.80 APP (0.55) APPKCNH2TP53CA12CA1
SCHEMBL15441139 0.79 APP (0.46) APPKCNH2MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012032211-A1 DENDRITIC STRUCTURES BASED ON TETRAARYLMETHANE UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2012-03-15 WO disclosed