SCHEMBL1554885

SCHEMBL1554885

C[C@H](CNC(=O)OCc1ccccc1)N(CCCO)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
MAPT P10636 1/20 0.43
BACE1 P56817 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
CTSK P43235 4/20 0.41
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CTSS P25774 3/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL7439259 0.79 L3MBTL1 (0.43) SYKMAPTBACE1L3MBTL1CTSK
SCHEMBL9766146 0.79 CCR6 (0.52) SYKMAPTL3MBTL1HTTTPSAB1
SCHEMBL734565 0.78 SYK (0.53) SYKMAPTL3MBTL1CTSKCTSS
SCHEMBL13664816 0.78 MAPT (0.48) SYKMAPTBACE1HTTTPSAB1
SCHEMBL4896495 0.77 SYK (0.48) SYKMAPTBACE1L3MBTL1CTSK
SCHEMBL1554884 0.77 SYK (0.48) SYKMAPTBACE1L3MBTL1CTSK
SCHEMBL6840615 0.77 SYK (0.56) SYKMAPTHTTCTSKSMN1; SMN2
SCHEMBL15784783 0.77 SYK (0.57) SYKMAPTHTTCTSKSMN1; SMN2
SCHEMBL13665312 0.77 MAPT (0.48) SYKMAPTL3MBTL1HTTTPSAB1
SCHEMBL30306840 0.77 SIRT2 (0.50) SYKMAPTTPSAB1TPSD1TPSG1

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-2491022-A1 DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2012-08-29 EP disclosed
WO-2011048032-A1 DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-28 WO disclosed