SCHEMBL5284698

SCHEMBL5284698

CCCCC(CC)COC(C(=O)O)(C(CC(CC)CCCC)C(=O)O)C(CC(CC)CCCC)(C(C)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
TSHR P16473 3/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 4/20 0.34
ALDH1A1 P00352 4/20 0.34
RECQL P46063 2/20 0.33
LMNA P02545 3/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
MAPK1 P28482 3/20 0.31
HSD17B10 Q99714 2/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5472009 0.79 CYP3A4 (0.41) CYP3A4TSHRATMTDP1L3MBTL1
SCHEMBL2719482 0.76 CYP3A4 (0.33) CYP3A4TSHRATMTDP1L3MBTL1
SCHEMBL1460183 0.74 CYP3A4 (0.39) CYP3A4TSHRATMTDP1L3MBTL1
SCHEMBL5475897 0.73 CA2 (0.41) CYP3A4TSHRATMTDP1L3MBTL1
SCHEMBL3394206 0.72 HSPD1 (0.47) CYP3A4TSHRATMTDP1L3MBTL1
SCHEMBL2462628 0.71 HSPD1 (0.39) CYP3A4TSHRATMTDP1L3MBTL1
SCHEMBL935762 0.70 CYP3A4 (0.42) CYP3A4TSHRATMTDP1L3MBTL1
SCHEMBL17373013 0.69 CYP3A4 (0.43) CYP3A4TSHRATMTDP1L3MBTL1
SCHEMBL11316587 0.69 HSPD1 (0.38) CYP3A4TSHRATMTDP1CA2
SCHEMBL11550445 0.69 CA2 (0.36) CYP3A4TSHRATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862225-B1 Pencil with a sharpenable wrapping and a gripping area on the surface of the pencil FABER CASTELL AG (DE) 2013-07-10 EP claimed
EP-1862225-A1 Pencil with a sharpenable wrapping and a gripping area on the surface of the pencil Faber-Castell AG (DE) 2007-12-05 EP claimed
EP-1566401-A2 Plastic material for kneading, modelling and decorating and preparation thereof J.S. Staedtler GmbH & Co KG (DE) 2005-08-24 EP claimed
EP-1862225-B1 Pencil with a sharpenable wrapping and a gripping area on the surface of the pencil FABER CASTELL AG (DE) 2013-07-10 EP disclosed
EP-1862225-A1 Pencil with a sharpenable wrapping and a gripping area on the surface of the pencil Faber-Castell AG (DE) 2007-12-05 EP disclosed
EP-1566401-A2 Plastic material for kneading, modelling and decorating and preparation thereof J.S. Staedtler GmbH & Co KG (DE) 2005-08-24 EP disclosed
EP-0562405-A1 Use of citric acid esters as lubricant for refrigerant compressor HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed