SCHEMBL7645960

SCHEMBL7645960

COC(=O)CCOc1ncccc1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
TSHR P16473 1/20 0.40
GGT1 P19440 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL3250987 0.86 KDM4E (0.46) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL7581695 0.80 PPARG (0.45) KDM4EPPARGPPARAHSD17B10KMT2A
SCHEMBL10881331 0.78 KDM4E (0.51) KDM4EHSD17B10HPGDTDP1CYP3A4
SCHEMBL7587819 0.78 GRM4 (0.44) KDM4EPPARGPPARAHSD17B10KMT2A
SCHEMBL22923106 0.75 KDM4E (0.43) KDM4EHSD17B10HPGDTDP1CYP3A4
SCHEMBL6641775 0.75 USP2 (0.45) KDM4EHSD17B10HPGDTDP1CYP3A4
SCHEMBL7586808 0.74 LMNA (0.60) KDM4EKMT2AMEN1TDP1ALDH1A1
SCHEMBL3248057 0.73 ALDH1A1 (0.52) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL27929103 0.72 KDM4E (0.46) KDM4EHSD17B10HPGDKMT2AMEN1
SCHEMBL3241983 0.72 KDM4E (0.44) KDM4EHSD17B10HPGDKMT2AMEN1

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
WO-2002098227-A1 PLANT GROWTH REGULATORS FOR COTTON HERVEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-12 WO disclosed