SCHEMBL17810313

SCHEMBL17810313

CCC(C)NCC(O)COCCC[Si](O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASR P41180 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL24305909 0.85 POLB (0.36) POLBHTTHPGDKDM4EUSP2
SCHEMBL17810278 0.85 POLB (0.47) POLBHTTHPGDKDM4EUSP2
SCHEMBL17810294 0.84 POLB (0.57) POLBHTTHPGDKDM4EUSP2
SCHEMBL16298587 0.80 USP2 (0.44) HTTKDM4EUSP2HSD17B10CYP1A2
SCHEMBL17810285 0.80 POLB (0.34) POLBHTTHPGDCYP1A2CYP3A4
SCHEMBL20873145 0.79 ADRB2 (0.34) ADRB2ADRB1MEN1KMT2ACYP1A2
SCHEMBL9928007 0.78 KDM4E (0.42) HTTKDM4EUSP2HSD17B10ADRB2
SCHEMBL16298540 0.77 KDM4E (0.44) HTTKDM4EUSP2HSD17B10ADRB2
SCHEMBL15218995 0.76 KDM4E (0.41) POLBHTTKDM4EUSP2ADRB2
SCHEMBL14281336 0.75 POLB (0.38) POLBHTTHPGDKDM4EUSP2

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
US-20160159660-A1 SILICON CONTAINING POLYMER FLOCCULANTS CYTEC INDUSTRIES INC. (US) 2016-06-09 US disclosed