SCHEMBL1554860

SCHEMBL1554860

Cc1cc(O)ccc1[C@H](O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.44
SYK P43405 1/20 0.41
SERPINE1 P05121 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ESRRB O95718 1/20 0.38
ESRRG P62508 1/20 0.38
MIF P14174 2/20 0.37
AAK1 Q2M2I8 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.36
MAP1LC3A Q9H492 1/20 0.36
KDM4A O75164 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL12322196 0.86 IDO1 (0.43) SYKSERPINE1MAPTHPGDALDH1A1
SCHEMBL12321072 0.86 CTSS (0.41) SYKSERPINE1CTSSCTSKMAPT
SCHEMBL1553334 0.85 NQO2 (0.42) NQO2SYKSERPINE1CTSSCTSK
SCHEMBL12321493 0.82 SYK (0.46) SYKCTSSCTSKKDM4APCSK9
SCHEMBL12321091 0.82 KCNQ3 (0.41) SYKSERPINE1MAPTHPGDALDH1A1
SCHEMBL3654593 0.82 ADRA2A (0.43) ALDH1A1TSHRESRRBESRRGADRA2A
SCHEMBL1555588 0.81 SYK (0.49) SYKCTSSCTSKMAPTKDM4E
SCHEMBL1553366 0.79 SMN1; SMN2 (0.51) NQO2SYKSERPINE1CTSSCTSK
SCHEMBL2011966 0.79 SMN1; SMN2 (0.51) NQO2SYKSERPINE1CTSSCTSK
SCHEMBL1553454 0.79 GPR88 (0.48) SYKAAK1

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