SCHEMBL17810285

SCHEMBL17810285

CCC(CC(CC(C)NCC(O)COCCC[Si](O)(O)O)C(N)=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
MAPT P10636 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
GAA P10253 1/20 0.30
ALPG P10696 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
SCHEMBL17810291 0.88
SCHEMBL17810284 0.82 MAPT (0.33) CYP1A2CYP3A4CYP2C19MAPTL3MBTL1
SCHEMBL17814976 0.81 HPGD (0.33) POLBHPGDHTTCYP1A2CYP3A4
SCHEMBL17810313 0.80 POLB (0.49) POLBHPGDHTTCYP1A2CYP3A4
SCHEMBL17814961 0.78 MAPT (0.31) MAPT
SCHEMBL20873145 0.77 ADRB2 (0.34) CYP1A2CYP3A4CYP2C19
SCHEMBL24305909 0.72 POLB (0.36) POLBHPGDHTTL3MBTL1
SCHEMBL17810283 0.72 MAPT (0.30) MAPT
SCHEMBL20873137 0.71 USP2 (0.33) CYP1A2CYP3A4CYP2C19
SCHEMBL20873139 0.70 SLC22A6 (0.32)

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