SCHEMBL28816668

SCHEMBL28816668

CCCCCCc1c(C(=O)O)c(C(=O)OCC)cc(C(=O)OCC)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
NOD2 Q9HC29 1/20 0.45
PTPN1 P18031 1/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
PPARA Q07869 5/20 0.43
PPARG P37231 3/20 0.43
KAT8 Q9H7Z6 4/20 0.42
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL4660506 0.85 KAT8 (0.51) PPARAPPARGKAT8BIDMCL1
SCHEMBL316706 0.85 TSHR (0.51) KDM4ETSHRALDH1A1LMNAMAPT
SCHEMBL316148 0.85 TSHR (0.51) KDM4ETSHRALDH1A1LMNAMAPT
SCHEMBL7734049 0.82 ALDH1A1 (0.46) KDM4ENOD2TSHRALDH1A1LMNA
SCHEMBL4626441 0.81 ALDH1A1 (0.39) KDM4ENOD2PTPN1TSHRALDH1A1
SCHEMBL4626577 0.81 TSHR (0.39) KDM4ENOD2PTPN1TSHRALDH1A1
SCHEMBL7734770 0.81 PTPN1 (0.46) KDM4ENOD2PTPN1PPARAPPARG
SCHEMBL10601901 0.81 TSHR (0.50) KDM4EPTPN1TSHRALDH1A1LMNA
SCHEMBL14989326 0.80 KAT8 (0.49) PPARAPPARGKAT8BIDMCL1
SCHEMBL14989313 0.80 KAT8 (0.49) PPARAPPARGKAT8BIDMCL1

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
CN-104364267-A Method for producing cellulose derivative and cellulose derivative NEC CORP 2015-02-18 CN disclosed