Zinc Ion

Zinc Ion

SCHEMBL8748191

COc1ccc(OCCOC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1.COc1ccc(OCCOC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1.[Zn+2]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
TP53 P04637 1/20 0.59
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
MAPT P10636 7/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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 0.88 TP53 (0.65) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL8748192 0.87 TP53 (0.64) LMNATP53NPC1RAB9ASMN1; SMN2
Zinc Ion SCHEMBL8943602 0.83 MAPT (0.45) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL8652016 0.81 LMNA (0.65) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL9151140 0.77 KDM4E (0.67) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL9149942 0.77 MEN1 (0.58) LMNATP53NPC1RAB9ASMN1; SMN2
Zinc Ion SCHEMBL26935 0.75 NPC1 (0.53) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9153878 0.74 KDM4E (0.63) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL8602530 0.73 KDM4C (0.64) LMNATP53RAB9ATSHRMEN1
Zinc Ion SCHEMBL8748347 0.72 RAB9A (0.56) LMNATP53NPC1RAB9ASMN1; SMN2

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