SCHEMBL1473025

SCHEMBL1473025

CCO[Si](CCCc1cc2c(O)c(c1)Cc1cc(CCC[Si](OCC)(OCC)OCC)cc(c1O)Cc1cc(CCC[Si](OCC)(OCC)OCC)cc(c1O)Cc1cc(CCC[Si](OCC)(OCC)OCC)cc(c1O)C2)(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 2/20 0.37
TNKS2 Q9H2K2 1/20 0.34
PTPN2 P17706 2/20 0.34
PTPN1 P18031 2/20 0.34
PTPN11 Q06124 2/20 0.34
PTPN4 P29074 1/20 0.34
PTPN9 P43378 1/20 0.34
PTGS2 P35354 4/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTPRC P08575 1/20 0.30

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
SCHEMBL14174487 0.77 GAA (0.47) PTGS2CYP3A4HPGDMAPK1HTT
SCHEMBL17442492 0.74 ALDH1A1 (0.36) PTGS2CYP3A4HPGD
SCHEMBL15736943 0.73 IDO1 (0.34)
SCHEMBL16669329 0.73 ESR1 (0.52) PTGS2CYP3A4
SCHEMBL15736593 0.72 NOS3 (0.31)
SCHEMBL14226990 0.72 PTGS2 (0.46) PTGS2
SCHEMBL16669388 0.72 CALM1 (0.47)
SCHEMBL3875014 0.72 PTPRB (0.48) PTPRBPTPN2PTPN1PTPN11PTPN4
SCHEMBL3917416 0.71 HRH1 (0.44) CYP3A4NPC1HTT
SCHEMBL15736353 0.70 IDO1 (0.40) CYP3A4HPGD

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-7915438-B1 Solid phase host compositions NORTHWESTERN UNIVERSITY (US) 2011-03-29 US disclosed
US-7271259-B1 Solid phase host compositions NORTHWESTERN UNIVERSITY (US) 2007-09-18 US disclosed