SCHEMBL17814865

SCHEMBL17814865

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nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
FFAR3 O14843 1/20 0.33

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
SCHEMBL11163798 0.81 FFAR3 (0.36) LTA4HGABRPGABRDGABRA1GABRB1
SCHEMBL14753764 0.81 FFAR3 (0.36) LTA4HGABRPGABRDGABRA1GABRB1
SCHEMBL21070040 0.78 LTA4H (0.35) LTA4H
SCHEMBL29374988 0.78 LTA4H (0.35) LTA4H
SCHEMBL9302554 0.77 ALDH1A1 (0.40) LTA4HTP53
SCHEMBL8990012 0.77 TSHR (0.33) LTA4HTP53
SCHEMBL11166642 0.77 LTA4H (0.40) LTA4HTP53
SCHEMBL9303262 0.77 ALDH1A1 (0.40) LTA4HTP53
SCHEMBL25129442 0.77 CYP2D6 (0.40) LTA4HTP53
SCHEMBL16092923 0.75 KDM4A (0.34) LTA4HKDM4C

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
WO-2016090157-A1 BIOMOLECULE CONJUGATES CELGENE CORPORATION (US) 2016-06-09 WO disclosed