SCHEMBL5873291

SCHEMBL5873291

O=C(CO)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 2/20 0.41
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM4 P08173 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 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
SCHEMBL28381073 0.82 CYP2C19 (0.42) CYP2C9HTTLMNAL3MBTL1CYP2C19
SCHEMBL29008162 0.81 L3MBTL1 (0.53) CYP2C9HTTLMNAL3MBTL1CYP2C19
SCHEMBL463621 0.80 OPRM1 (0.53) CYP2C9HTTLMNAL3MBTL1CNR1
Benzylic Acid SCHEMBL21434289 0.76 CYP2C9 (0.68) CYP2C9HTTLMNAL3MBTL1CNR1
SCHEMBL9056652 0.75 CYP2C9 (0.54) CYP2C9HTTLMNAL3MBTL1CNR1
Benzylic Acid SCHEMBL7066 0.75 CYP2C9 (0.74) CYP2C9HTTLMNAL3MBTL1CNR1
Benzylic Acid SCHEMBL1680669 0.73 CYP2C9 (0.71) CYP2C9HTTLMNAL3MBTL1CNR1
Benzylic Acid SCHEMBL9181980 0.73 CYP2C9 (0.71) CYP2C9HTTLMNAL3MBTL1CNR1
Benzylic Acid SCHEMBL20957595 0.73 CYP2C9 (0.71) CYP2C9HTTLMNAL3MBTL1CNR1
Benzylic Acid SCHEMBL9568239 0.73 CYP2C9 (0.71) CYP2C9HTTLMNAL3MBTL1CNR1

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-6991659-B2 Production of tanned leather and products suitable therefore CLARIANT FINANCE (BVI) LIMITED (VG) 2006-01-31 US disclosed
EP-1362128-B1 PRODUCTION OF TANNED LEATHER AND PRODUCTS SUITABLE THEREFORE CLARIANT FINANCE BVI LTD (VG) 2005-03-09 EP disclosed
US-20040074009-A1 Production of tanned leather and products suitable therefore CLARIANT FINANCE (BVI) LIMITED (VG) 2004-04-22 US disclosed
EP-1362128-A1 PRODUCTION OF TANNED LEATHER AND PRODUCTS SUITABLE THEREFORE Clariant Finance (BVI) Limited (VG) 2003-11-19 EP disclosed
WO-2002059382-A1 PRODUCTION OF TANNED LEATHER AND PRODUCTS SUITABLE THEREFORE CLARIANT INTERNATIONAL LTD (CH) 2002-08-01 WO disclosed