SCHEMBL1553476

SCHEMBL1553476

CC(C)(C)OC(=O)NC[C@@H](O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
HDAC1 Q13547 1/20 0.48
LTA4H P09960 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
BCL2 P10415 1/20 0.46
MAOB P27338 1/20 0.46
ACACB O00763 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL23684597 0.87 SYK (0.51) SYKADRB2ADRB3SMN1; SMN2ALOX5
SCHEMBL30771411 0.87 SYK (0.53) SYKADRB2ADRB1ADRB3HDAC1
SCHEMBL6431215 0.86 PRKCA (0.60) SYKADRB2ADRB1ADRB3HDAC1
SCHEMBL31724393 0.85 SYK (0.54) SYKADRB2ADRB1ADRB3HDAC1
SCHEMBL9533724 0.85 SYK (0.51) SYKADRB2ADRB1ADRB3HDAC1
SCHEMBL20425275 0.85 SYK (0.53) SYKADRB2ADRB1ADRB3HDAC1
SCHEMBL1624911 0.85 NPC1 (0.58) SYKNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL350453 0.85 NPC1 (0.58) SYKNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7739354 0.85 NPC1 (0.58) SYKNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7428451 0.84 ADRB2 (0.53) SYKADRB2ADRB1ADRB3HDAC1

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