Zinc Ion

Zinc Ion

SCHEMBL9440334

CCCCCCOc1cccc(C(=O)[O-])n1.CCCCCCOc1cccc(C(=O)[O-])n1.[Zn+2]

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.45
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMPD1 P17405 4/20 0.40
TP53 P04637 2/20 0.40
SOAT1 P35610 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
Zinc Ion SCHEMBL9440430 0.94 PTGER1 (0.49) PTGER1TSHRLMNAALDH1A1ADRA2A
SCHEMBL9094639 0.85 TSHR (0.49) TSHRMEN1KMT2ATP53SOAT1
SCHEMBL2270702 0.84 TSHR (0.48) TSHRMEN1KMT2ATP53SOAT1
Potassium Ion SCHEMBL28087603 0.80 MAPK8 (0.53) PTGER1MAPTCNR2
SCHEMBL8583652 0.79 SOAT1 (0.51) TSHRTP53SOAT1PLA2G4B
SCHEMBL2460027 0.79 KDM4E (0.50) PTGER1TSHRLMNAALDH1A1CYP3A4
Zinc Ion SCHEMBL9440280 0.78 KCNH2 (0.64) PTGER1
SCHEMBL3133224 0.78 OPRM1 (0.43) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL2270674 0.78 KDM4E (0.48) PTGER1TSHRLMNAALDH1A1CYP3A4
SCHEMBL2454872 0.77 MAPT (0.47) TSHRLMNACYP3A4ADRA2AMAPT

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-0433457-B1 ANTIPRURITIC COMPOSITION SHISEIDO CO LTD (JP) 1994-10-19 EP disclosed
US-5219847-A Antipruritic composition SHISEIDO COMPANY, LTD. (JP) 1993-06-15 US disclosed
EP-0433457-A1 ANTIPRURITIC COMPOSITION SHISEIDO COMPANY LIMITED (JP) 1991-06-26 EP disclosed