SCHEMBL13638873

SCHEMBL13638873

COCCO[C@H]1CCN(c2nc(C(=O)O)co2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.46
LIPC P11150 2/20 0.46
TTR P02766 2/20 0.38
KMT2A Q03164 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ACACB O00763 1/20 0.33
CD38 P28907 1/20 0.33
GSK3B P49841 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
SCHEMBL13634348 0.90 LIPG (0.41) LIPGLIPCTTRIRAK4ACACB
SCHEMBL13162581 0.87 TTR (0.39) LIPGLIPCTTRIRAK4
SCHEMBL15888574 0.87 HCRTR1 (0.42) LIPGLIPCKMT2AIRAK4KDM4E
SCHEMBL13634332 0.86 SCD5 (0.39) TTRIRAK4ACACB
SCHEMBL13634314 0.80 LIPG (0.37) LIPGLIPCKMT2AP2RY12ACACB
SCHEMBL3436269 0.80 HCRTR1 (0.35) LIPGTTRKMT2AIRAK4KDM4E
SCHEMBL16896321 0.78 TTR (0.36) LIPGTTRIRAK4KDM4EUSP2
SCHEMBL18207856 0.78 TTR (0.36) LIPGTTRIRAK4KDM4EUSP2
SCHEMBL13162789 0.78 RIPK1 (0.36) TTRKDM4EGSK3B
SCHEMBL17383754 0.76 USP2 (0.40) KMT2AIRAK4KDM4EUSP2ALDH1A1

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-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed