SCHEMBL6428728

SCHEMBL6428728

CNc1ccc(C(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 5/20 0.58
CTSL P07711 5/20 0.58
MCL1 Q07820 2/20 0.56
FOLH1 Q04609 1/20 0.51
PTGER1 P34995 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
C5AR1 P21730 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL6428726 0.84 SGMS2 (0.57) CTSVCTSLFOLH1PTGER1GAA
SCHEMBL28907176 0.82 C5AR1 (0.61) CTSVCTSLMEN1KMT2AL3MBTL1
SCHEMBL20400859 0.81 NPC1 (0.51) CTSVCTSLMCL1FOLH1PTGER1
SCHEMBL8168015 0.81 MCL1 (0.64) CTSVCTSLMCL1FOLH1PTGER1
SCHEMBL4756552 0.80 MAOB (0.63) CTSVCTSLMCL1FOLH1SMN1; SMN2
SCHEMBL5583147 0.80 MCL1 (0.63) MCL1FOLH1PTGER1SMN1; SMN2GAA
SCHEMBL20400951 0.80 CTSV (0.50) CTSVCTSLMCL1FOLH1PTGER1
SCHEMBL10089235 0.80 FOLH1 (0.69) MCL1FOLH1PTGER1SGMS2MAOB
SCHEMBL31550547 0.79 HDAC8 (0.60) CTSVCTSLMCL1FOLH1SMN1; SMN2
SCHEMBL6404086 0.79 HDAC8 (0.60) CTSVCTSLMCL1FOLH1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050221318-A1 Building block forming a c-c bond upon reaction NUEVOLUTION A/S (DK) 2005-10-06 US disclosed
EP-1490384-A2 A BUILDING BLOCK FORMING A C-C BOND UPON REACTION Nuevolution A/S (DK) 2004-12-29 EP disclosed
EP-1487848-A2 A BUILDING BLOCK FORMING A C=C DOUBLE BOND UPON REACTION Nuevolution A/S (DK) 2004-12-22 EP disclosed
WO-2003078445-A2 A BUILDING BLOCK FORMING A C=C DOUBLE BOND UPON REACTION NUEVOLUTION A/S (DK) 2003-09-25 WO disclosed
WO-2003078050-A2 A BUILDING BLOCK FORMING A C-C BOND UPON REACTION NUEVOLUTION A/S (DK) 2003-09-25 WO disclosed