SCHEMBL8748192

SCHEMBL8748192

COc1ccc(OCCOC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1.[Zn]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 6/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4C Q9H3R0 2/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP2D6 P10635 2/20 0.52
POLB P06746 2/20 0.52
ATM Q13315 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL8655647 0.99 TP53 (0.65) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL8652016 0.89 LMNA (0.65) TP53LMNAMAPTALDH1A1MEN1
SCHEMBL9151140 0.88 KDM4E (0.67) TP53LMNAMAPTKDM4EALDH1A1
Zinc Ion SCHEMBL8748191 0.87 LMNA (0.59) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL9149942 0.87 MEN1 (0.58) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL9153878 0.85 KDM4E (0.63) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL8602530 0.84 KDM4C (0.64) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL8943610 0.82 NPC1 (0.51) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL8654938 0.81 MAPT (0.77) MAPTKDM4EALDH1A1KDM4CMEN1
SCHEMBL9305720 0.81 NPC1 (0.52) TP53LMNAMAPTKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534257-B1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS (JP) 1997-03-12 EP disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed