SCHEMBL6313869

SCHEMBL6313869

COC(=O)CCc1ccc(Nc2ccccc2-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
FFAR1 O14842 6/20 0.47
FFAR4 Q5NUL3 3/20 0.47
PTPN1 P18031 2/20 0.46
MMP12 P39900 1/20 0.46
HCAR2 Q8TDS4 2/20 0.43
LTB4R Q15722 1/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
PTGER4 P35408 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL6308956 0.97 SIRT2 (0.49) SIRT2FFAR1FFAR4PTPN1HCAR2
SCHEMBL6308951 0.88 FFAR1 (0.56) FFAR1FFAR4PTPN1MMP12LTB4R
SCHEMBL12646541 0.85 PTPN1 (0.55) FFAR1FFAR4PTPN1MMP12HRH3
SCHEMBL4827768 0.84 FFAR1 (0.65) FFAR1FFAR4PTPN1MMP12LTB4R
SCHEMBL480043 0.84 FFAR1 (0.65) FFAR1FFAR4PTPN1MMP12LTB4R
SCHEMBL14717838 0.82 SIRT2 (0.45) SIRT2PTPN1PTGER4
SCHEMBL2776004 0.81 TDP1 (0.51) SIRT2FFAR1FFAR4PTPN1
SCHEMBL14683408 0.80 SIRT2 (0.52) SIRT2FFAR1FFAR4PTPN1MMP12
Methyl 3-Phenylpropanoate SCHEMBL9424369 0.79 TDP1 (0.61) FFAR1MMP12HRH3
SCHEMBL7389628 0.79 SIRT2 (0.54) SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936679-B2 Charge-transporting polymer FUJI XEROX CO., LTD. (JP) 2005-08-30 US disclosed
US-20030207187-A1 Charge-transporting polymer FUJI XEROX CO., LTD. (JP) 2003-11-06 US disclosed