SCHEMBL17282958

SCHEMBL17282958

C[C@H](NC(=O)OC(C)(C)C)C(=O)c1nccn1COCC[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
DGAT1 O75907 1/20 0.34
FPR2 P25090 4/20 0.34
TRPA1 O75762 1/20 0.33
HRH2 P25021 4/20 0.33
HRH1 P35367 4/20 0.33
CTSK P43235 1/20 0.32
KMT2A Q03164 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
SCHEMBL18662357 0.86 DGAT1 (0.33) MAPTDGAT1
SCHEMBL31305763 0.81 SMN1; SMN2 (0.33) MAPTDGAT1
SCHEMBL18681721 0.80 FPR2 (0.37) KDM4EGLAGAAMAPTHPGD
SCHEMBL6749699 0.79 KDM4E (0.44) KDM4EPCSK9DGAT1FPR2
SCHEMBL24189705 0.79 CTSL (0.40)
SCHEMBL30396638 0.79 CTSL (0.40)
SCHEMBL24509637 0.78 CYP17A1 (0.39) PCSK9DGAT1FPR2
SCHEMBL28612046 0.75 NPC1 (0.33)
SCHEMBL5661987 0.75 DGAT1 (0.36) MAPTDGAT1
SCHEMBL3973414 0.74 SMN1; SMN2 (0.35) MAPTDGAT1

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
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed