SCHEMBL29894593

SCHEMBL29894593

CCCCOc1ccc2c(c1)oc(=O)c1cc(OC)ccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.76
ALDH1A1 P00352 9/20 0.76
MAPT P10636 7/20 0.76
POLB P06746 6/20 0.76
RAB9A P51151 2/20 0.76
NPC1 O15118 1/20 0.76
STAT1 P42224 1/20 0.76
L3MBTL1 Q9Y468 3/20 0.63
LMNA P02545 2/20 0.63
HPGD P15428 7/20 0.58
HSD17B10 Q99714 6/20 0.58
TDP1 Q9NUW8 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ACHE P22303 7/20 0.57
BCHE P06276 4/20 0.57
TSHR P16473 4/20 0.55
ESR1 P03372 3/20 0.55
APEX1 P27695 3/20 0.55
ESR2 Q92731 3/20 0.55

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
SCHEMBL28627763 1.00 KDM4E (0.76) KDM4EALDH1A1MAPTPOLBRAB9A
SCHEMBL7758792 0.90 KDM4E (0.60) KDM4EALDH1A1MAPTPOLBRAB9A
SCHEMBL30566340 0.89 MAPT (0.64) KDM4EALDH1A1MAPTPOLBRAB9A
SCHEMBL29069240 0.89 MAPT (0.64) KDM4EALDH1A1MAPTPOLBRAB9A
SCHEMBL29069220 0.88 KDM4E (0.62) KDM4EALDH1A1MAPTPOLBRAB9A
SCHEMBL30566362 0.88 MAPT (0.65) KDM4EALDH1A1MAPTPOLBRAB9A
SCHEMBL29069246 0.87 MAPT (0.68) KDM4EALDH1A1MAPTPOLBRAB9A
SCHEMBL30566350 0.87 MAPT (0.68) KDM4EALDH1A1MAPTPOLBRAB9A
SCHEMBL18880260 0.87 KDM4E (1.00) KDM4EALDH1A1MAPTPOLBRAB9A
SCHEMBL29853686 0.87 KDM4E (1.00) KDM4EALDH1A1MAPTPOLBRAB9A

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-113336735-B Urolithin compound, preparation method, pharmaceutical composition and application 常州大学 2022-09-30 CN disclosed