SCHEMBL8923219

SCHEMBL8923219

CCCCC(CC)CC(=CC(=O)[O-])C(=O)[O-].[Hg+2]c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CA2 P00918 3/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL149525 0.87 ALDH1A1 (0.40) ALDH1A1CA2CYP3A4LMNAMAPK1
SCHEMBL149526 0.87 ALDH1A1 (0.40) ALDH1A1CA2CYP3A4LMNAMAPK1
SCHEMBL3676857 0.86 ALDH1A1 (0.39) ALDH1A1CA2CYP3A4LMNAMAPK1
SCHEMBL3676854 0.85 CA2 (0.38) ALDH1A1CA2CYP3A4LMNAMAPK1
SCHEMBL11811901 0.84 CA2 (0.49) ALDH1A1CA2CYP3A4LMNAMAPK1
Zinc Ion SCHEMBL9481488 0.84 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR
Zinc Ion SCHEMBL9480714 0.84 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL16566516 0.84 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR
Zinc Ion SCHEMBL7638099 0.84 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR
Zinc Ion SCHEMBL9480733 0.84 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639464-A Biocidal polymeric coating for heat exchanger coils INTERFACE, INC. (US) 1997-06-17 US disclosed
US-5635192-A Biocidal polymeric coating for heat exchanger coils INTERFACE, INC. (US) 1997-06-03 US disclosed
US-5587407-A WATER RESISTANT POLYMER; INHIBITS CORROSION, FOULING, BIOCIDAL BUILDUP INTERFACE, INC. (US) 1996-12-24 US disclosed
US-5453275-A Biocidal polymeric coating for heat exchanger coils INTERFACE, INC. (US) 1995-09-26 US disclosed
US-5041275-A Antimicrobial agents UNION OIL COMPANY OF CALIFORNIA (US) 1991-08-20 US disclosed