Zinc Ion

Zinc Ion

SCHEMBL7088082

CC(C)(C)CC(C)(C)c1cc(C(=O)[O-])c(O)c(-c2ccccc2)c1.CC(C)(C)CC(C)(C)c1cc(C(=O)[O-])c(O)c(-c2ccccc2)c1.[Zn+2]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.42
PTPN6 P29350 2/20 0.42
PTPN2 P17706 1/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
HNF4A P41235 1/20 0.37
SHBG P04278 1/20 0.36
PKLR P30613 1/20 0.35
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL1129606 0.88 PTPN1 (0.55) PTPN1PTPN6PTPN2AKR1C3AKR1C2
SCHEMBL199860 0.83 SHBG (0.47) PTPN1PTPN6PTPN2SHBGCYP3A4
Zinc Ion SCHEMBL7088085 0.83 CNR1 (0.44) PTPN1PTPN6PTPN2
Zinc Ion SCHEMBL7090677 0.83 PTPN1 (0.44) PTPN1PTPN6PTPN2AKR1C3AKR1C2
Zinc Ion SCHEMBL7089200 0.81 SHBG (0.36) SHBGPKLRCYP3A4CYP2D6HIF1A
SCHEMBL11231182 0.80 SHBG (0.46) PTPN1PTPN6PTPN2AKR1C3AKR1C2
SCHEMBL11776523 0.80 PTPN1 (0.44) PTPN1PTPN6PTPN2AKR1C3AKR1C2
Zinc Ion SCHEMBL11341982 0.79 ESR1 (0.42) PTPN1PTPN6PTPN2AKR1C3AKR1C2
Zinc Ion SCHEMBL7087609 0.78 SHBG (0.39) SHBGCYP3A4CYP2D6HIF1A
SCHEMBL30038339 0.77 SHBG (0.41) PTPN1PTPN6PTPN2AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191023-A1 Thermosensitive recording material FUJI PHOTO FILM CO., LTD. 2003-10-09 US disclosed