SCHEMBL3404476

SCHEMBL3404476

CC(C)(C)[Si](OC[C@@H](N)CCC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
ANPEP P15144 3/20 0.36
ENPEP Q07075 3/20 0.36
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34

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
SCHEMBL117345 0.91 LTA4H (0.37) LTA4HALDH1A1CYP3A4HTTSMN1; SMN2
SCHEMBL29071875 0.87 LTA4H (0.42) LTA4HCYP3A4HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL29071909 0.87 LTA4H (0.42) LTA4HCYP3A4HTTSMN1; SMN2
SCHEMBL144467 0.87 AAK1 (0.36) LTA4H
Hydrochloric Acid SCHEMBL29071911 0.87 LTA4H (0.42) LTA4HCYP3A4HTTSMN1; SMN2
SCHEMBL22321345 0.86 LTA4H (0.35) LTA4HS1PR2S1PR1CYP2C19CYP3A4
SCHEMBL22321343 0.86 LTA4H (0.35) LTA4HS1PR2S1PR1CYP2C19CYP3A4
SCHEMBL5026306 0.85 CYSLTR2 (0.37) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL9523633 0.85 GAA (0.36) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL8122701 0.85 GAA (0.36) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19

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-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed