SCHEMBL7296012

SCHEMBL7296012

[O]c1cc(O)c(O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SELL P14151 2/20 0.48
SELP P16109 2/20 0.48
MAPT P10636 2/20 0.48
FUT7 Q11130 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
HPGD P15428 2/20 0.48
CA6 P23280 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CA12 O43570 1/20 0.48
TP53 P04637 1/20 0.48
CA3 P07451 1/20 0.48
FUT4 P22083 1/20 0.48
CA4 P22748 1/20 0.48
DPP4 P27487 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL96645 0.71 SELL (0.47) LMNATDP1KDM4EALDH1A1SELL
SCHEMBL67497 0.69 BACE1 (0.54) LMNATDP1KDM4EALDH1A1SELL
SCHEMBL25183526 0.69 SELL (0.53) LMNATDP1KDM4EALDH1A1SELL
SCHEMBL11041875 0.69 KDM4E (0.59) LMNATDP1KDM4EALDH1A1SELL
Gallic Acid SCHEMBL28279123 0.67 CA12 (0.90) LMNATDP1KDM4EALDH1A1SELL
Gallic Acid SCHEMBL5421738 0.67 CA12 (0.90) LMNATDP1KDM4EALDH1A1SELL
SCHEMBL6873138 0.67 HSD17B10 (0.58) LMNAKDM4EALDH1A1MAPTCA1
SCHEMBL21845103 0.67 KDM4E (0.50) LMNATDP1KDM4EALDH1A1SELL
SCHEMBL352369 0.67 KDM4E (0.65) LMNATDP1KDM4EALDH1A1SELL
SCHEMBL3123299 0.67 CA1 (0.58) LMNAKDM4EALDH1A1MAPTCA1

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-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed