SCHEMBL7415842

SCHEMBL7415842

CCOC(=O)N(CCc1ccc(-c2ccc(C)cc2)cc1)[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSK P43235 6/20 0.40
CTSL P07711 2/20 0.40
MMP12 P39900 1/20 0.40
MMP8 P22894 1/20 0.39
CTSB P07858 2/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
FFAR1 O14842 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CTSS P25774 1/20 0.36
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7422349 0.92 AAK1 (0.43) HSD17B10POLBALDH1A1LMNAL3MBTL1
SCHEMBL7429544 0.90 LMNA (0.45) HSD17B10POLBALDH1A1LMNAL3MBTL1
SCHEMBL7420933 0.88 PSMB5 (0.46) HSD17B10POLBALDH1A1LMNAL3MBTL1
SCHEMBL7426026 0.86 HCAR2 (0.39) HSD17B10POLBALDH1A1LMNAL3MBTL1
SCHEMBL7421321 0.85 NTSR1 (0.40) HSD17B10POLBALDH1A1LMNAL3MBTL1
SCHEMBL7418968 0.80 CTSK (0.40) HSD17B10POLBL3MBTL1CTSKCTSL
SCHEMBL7423963 0.74 OPRK1 (0.48) CTSKCTSLCTSBCTSS
SCHEMBL15251844 0.74 L3MBTL1 (0.41) HSD17B10POLBL3MBTL1CTSKCTSB
SCHEMBL27853183 0.74 L3MBTL1 (0.41) HSD17B10POLBL3MBTL1CTSKCTSB
SCHEMBL7697567 0.74 ALDH1A1 (0.45) HSD17B10POLBALDH1A1LMNAL3MBTL1

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