SCHEMBL1554728

SCHEMBL1554728

COc1cc(OCc2ccccc2)ccc1[C@H](O)CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCL2 P10415 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
HDAC1 Q13547 1/20 0.41
LTA4H P09960 1/20 0.41
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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 0.89 CA1 (0.47) NPC1RAB9ASMN1; SMN2LTA4HL3MBTL1
SCHEMBL1555588 0.88 SYK (0.49) SYKNPC1RAB9ASMN1; SMN2BCL2
SCHEMBL12322222 0.84 SYK (0.54) SYKPPARABCHECNR2CA1
SCHEMBL1554726 0.82 GPR88 (0.52) SYKNPC1RAB9ASMN1; SMN2BCL2
SCHEMBL1553476 0.82 SYK (0.54) SYKNPC1RAB9ASMN1; SMN2BCL2
SCHEMBL1553334 0.81 NQO2 (0.42) SYKADRB2ADRB1ADRB3LMNA
SCHEMBL4582959 0.81 DRD2 (0.49) SYKADRB2ADRB1ADRB3LMNA
SCHEMBL23684597 0.81 SYK (0.51) SYKSMN1; SMN2ADRB2ADRB3BCHE
SCHEMBL13191491 0.81 PPARA (0.48) NPC1RAB9ASMN1; SMN2HDAC1L3MBTL1
SCHEMBL2172395 0.80 LTA4H (0.49) MRGPRX4LTA4HTNFNOD2NOD1

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