Zinc Ion

Zinc Ion

SCHEMBL8748202

O=C(Nc1ccc(C(=O)[O-])c(O)c1)OCc1ccccc1.O=C(Nc1ccc(C(=O)[O-])c(O)c1)OCc1ccccc1.[Zn+2]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.56
▸ RAB9A P51151 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL2293225 0.88 MGLL (0.60) MGLLRAB9ATP53MAPTNPC1
SCHEMBL8748204 0.87 MGLL (0.59) MGLLRAB9ATP53MAPTNPC1
SCHEMBL6883704 0.80 MAPT (0.64) MGLLRAB9ATP53MAPTNPC1
Zinc Ion SCHEMBL8652807 0.80 MAPT (0.64) RAB9ATP53MAPTNPC1ALDH1A1
SCHEMBL3038608 0.78 MGLL (0.58) MGLLRAB9ATP53MAPTNPC1
SCHEMBL7842397 0.78 MGLL (0.58) MGLLRAB9ATP53MAPTNPC1
SCHEMBL9150484 0.78 PKM (0.51) MGLLRAB9ATP53MAPTNPC1
SCHEMBL12892589 0.77 MGLL (0.60) MGLLRAB9ATP53MAPTNPC1
SCHEMBL3175561 0.77 MGLL (0.60) MGLLRAB9ATP53MAPTNPC1
SCHEMBL3758290 0.77 MGLL (0.60) MGLLRAB9ATP53MAPTNPC1

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
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