SCHEMBL7429544

SCHEMBL7429544

CCOC(=O)N(CCc1ccc(O)cc1)[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MMP8 P22894 1/20 0.41
CTSB P07858 2/20 0.40
BCHE P06276 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
CTSK P43235 4/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
GLI1 P08151 1/20 0.38

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
SCHEMBL7415842 0.90 HSD17B10 (0.43) LMNAHSD17B10L3MBTL1ALDH1A1POLB
SCHEMBL7422349 0.89 AAK1 (0.43) LMNAHSD17B10L3MBTL1ALDH1A1POLB
SCHEMBL7426026 0.85 HCAR2 (0.39) LMNAHSD17B10L3MBTL1ALDH1A1POLB
SCHEMBL7420933 0.84 PSMB5 (0.46) LMNAHSD17B10L3MBTL1ALDH1A1POLB
SCHEMBL7421321 0.81 NTSR1 (0.40) LMNAHSD17B10L3MBTL1ALDH1A1POLB
SCHEMBL7423963 0.79 OPRK1 (0.48) CTSBOPRM1OPRD1OPRK1CTSK
SCHEMBL27853183 0.77 L3MBTL1 (0.41) HSD17B10L3MBTL1POLBCTSBCTSK
SCHEMBL15251844 0.77 L3MBTL1 (0.41) HSD17B10L3MBTL1POLBCTSBCTSK
SCHEMBL7418968 0.77 CTSK (0.40) HSD17B10L3MBTL1POLBCTSBCTSK
SCHEMBL7697567 0.76 ALDH1A1 (0.45) LMNAHSD17B10L3MBTL1ALDH1A1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed