SCHEMBL1554044

SCHEMBL1554044

COc1cc(O)ccc1[C@H](O)CNC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
ACHE P22303 6/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SYK P43405 1/20 0.42
HTT P42858 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL1554388 0.88 CA1 (0.47) CA1CA2ACHEKMT2AMEN1
SCHEMBL1553334 0.80 NQO2 (0.42) LMNASYKCTSSCTSK
SCHEMBL1554043 0.79 CA1 (0.47) CA1CA2ACHEKMT2AMEN1
SCHEMBL1554728 0.76 SYK (0.47) CA1CA2ACHEL3MBTL1LMNA
SCHEMBL1554809 0.76 CA1 (0.58) CA1CA2ACHEL3MBTL1LMNA
SCHEMBL15317909 0.76 SMN1; SMN2 (0.62) KMT2AL3MBTL1LMNASMN1; SMN2SYK
SCHEMBL13569333 0.76 SMN1; SMN2 (0.62) KMT2AL3MBTL1LMNASMN1; SMN2SYK
SCHEMBL3226529 0.76 SMN1; SMN2 (0.62) KMT2AL3MBTL1LMNASMN1; SMN2SYK
SCHEMBL4443866 0.75 AOC3 (0.55) L3MBTL1LMNASMN1; SMN2
SCHEMBL9765283 0.75 LMNA (0.45) L3MBTL1LMNASMN1; SMN2SYKHTT

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-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044195-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed