SCHEMBL27823975

SCHEMBL27823975

CC(C)CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 15/20 0.92
▸ ALDH1A1 P00352 12/20 0.92
▸ HPGD P15428 12/20 0.92
▸ CYP3A4 P08684 4/20 0.92
▸ HSD17B10 Q99714 4/20 0.92
▸ NPSR1 Q6W5P4 3/20 0.92
▸ LMNA P02545 2/20 0.92
▸ TSHR P16473 2/20 0.92
▸ MAPK1 P28482 1/20 0.92
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ MAPT P10636 4/20 0.65
▸ HTT P42858 3/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ ABCB1 P08183 1/20 0.65
▸ TP53 P04637 2/20 0.64
▸ GAA P10253 2/20 0.64
▸ POLB P06746 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.56

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
Suksdorfin SCHEMBL15532093 0.96 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10
Dihydrosamidin SCHEMBL12062121 0.96 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL29650634 0.92 KDM4E (0.84) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL29912933 0.92 KDM4E (0.84) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL31127004 0.91 KDM4E (0.83) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL31237484 0.90 KDM4E (0.78) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL31153360 0.82 KDM4E (0.76) KDM4EALDH1A1HPGDCYP3A4HSD17B10
Seravshanin SCHEMBL30565432 0.82 KDM4E (0.76) KDM4EALDH1A1HPGDCYP3A4HSD17B10
Visnadine SCHEMBL30640212 0.81 KDM4E (0.74) KDM4EALDH1A1HPGDCYP3A4HSD17B10
Visnadine SCHEMBL12710639 0.81 KDM4E (0.74) KDM4EALDH1A1HPGDCYP3A4HSD17B10

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-102329322-A Method for extracting cis-3',4'-diisovalerylkhellactone from peucedanum japonicum thunb. SUZHOU PAITENG BIOLOG MEDICAL TECHNOLOGY CO LTD 2012-01-25 — — CN disclosed
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