Zinc Ion

Zinc Ion

SCHEMBL7089201

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
CNR1 P21554 15/20 0.39
CNR2 P34972 15/20 0.39
GPR18 Q14330 3/20 0.39
GPR55 Q9Y2T6 3/20 0.39

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
SCHEMBL5143833 0.90 NR5A2 (0.43) NR5A2NR5A1CNR1CNR2GPR18
Zinc Ion SCHEMBL7087612 0.87 NR5A2 (0.43) NR5A2NR5A1CNR1CNR2
Zinc Ion SCHEMBL7089200 0.83 SHBG (0.36) NR5A2NR5A1
Zinc Ion SCHEMBL7088085 0.83 CNR1 (0.44) CNR1CNR2GPR18GPR55
Zinc Ion SCHEMBL7089336 0.83 ESR1 (0.42) NR5A2NR5A1CNR1CNR2
Water SCHEMBL9852465 0.81 ESR1 (0.41) NR5A2NR5A1CNR1CNR2
SCHEMBL9700994 0.80 ALDH1A1 (0.42) NR5A2NR5A1CNR1CNR2
SCHEMBL8369740 0.79 CNR2 (0.41) CNR1CNR2GPR18GPR55
Zinc Ion SCHEMBL10662090 0.78 NR5A2 (0.40) NR5A2NR5A1CNR1CNR2
Zinc Ion SCHEMBL11771848 0.76 ALDH1A1 (0.38) CNR1CNR2

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