SCHEMBL1553366

SCHEMBL1553366

CC(C)(C)OC(=O)NC[C@@H](O)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
HIF1A Q16665 2/20 0.51
TAAR1 Q96RJ0 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HTR1A P08908 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
NMUR2 Q9GZQ4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP2C9 P11712 1/20 0.51
SYK P43405 1/20 0.45
MIF P14174 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
NQO2 P16083 1/20 0.42
SERPINE1 P05121 1/20 0.42

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
SCHEMBL2011966 1.00 SMN1; SMN2 (0.51) SMN1; SMN2HIF1ATAAR1ALDH1A1HTR1A
SCHEMBL17129221 0.88 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1SYKNPC1RAB9A
SCHEMBL30257063 0.87 AAK1 (0.47) SMN1; SMN2SYKCTSSCTSKNPC1
SCHEMBL16363856 0.87 CTSS (0.45) SMN1; SMN2SYKCTSSCTSKNPC1
SCHEMBL29861722 0.87 NPC1 (0.43) SMN1; SMN2SYKNPC1RAB9ALMNA
SCHEMBL24298740 0.87 NPC1 (0.43) SMN1; SMN2SYKCTSSCTSKNPC1
SCHEMBL2434610 0.87 CTSS (0.45) SMN1; SMN2SYKCTSSCTSKNPC1
SCHEMBL17373694 0.87 AAK1 (0.47) SMN1; SMN2SYKCTSSCTSKNPC1
SCHEMBL3657534 0.87 GAA (0.48) SMN1; SMN2ALDH1A1SYKNPC1RAB9A
SCHEMBL29861985 0.87 NPC1 (0.43) SMN1; SMN2SYKNPC1RAB9ALMNA

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