Zinc Ion

Zinc Ion

SCHEMBL9561820

COc1cc2ccccc2cc1C(=O)[O-].COc1cc2ccccc2cc1C(=O)[O-].[Zn+2]

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
HPGD P15428 3/20 0.71
KDM4E B2RXH2 3/20 0.71
NPC1 O15118 7/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
RAB9A P51151 6/20 0.55
POLB P06746 4/20 0.55
AHR P35869 2/20 0.55
CASP3 P42574 1/20 0.54
ATM Q13315 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL617928 0.83 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL31605176 0.83 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL407744 0.83 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ENPC1KMT2A
Zinc Ion SCHEMBL536583 0.82 MAPT (0.50) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL620668 0.81 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL9561825 0.81 ALDH1A1 (0.96) ALDH1A1HPGDKDM4ENPC1KMT2A
Hydrochloric Acid SCHEMBL7287472 0.81 ALDH1A1 (0.96) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL978576 0.81 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL30412939 0.81 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL8584230 0.81 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPC1KMT2A

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
JP-5286252-A None JP disclosed
JP-H05286252-A THERMAL RECORDING MATERIAL RICOH CO LTD 1993-11-02 JP disclosed