SCHEMBL8923209

SCHEMBL8923209

CCCCC(CC)C/C(=C/C(=O)O)C(=O)Oc1ccccc1.[Hg]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 2/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
FAAH O00519 4/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37

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
SCHEMBL31084077 0.88 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL8923204 0.88 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL8923215 0.80 ALDH1A1 (0.45) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL28158719 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL27619467 0.78 TSHR (0.43) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL4729112 0.77 ALDH1A1 (0.38) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL450703 0.77 TSHR (0.52) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL183765 0.75 CA2 (0.43) ALDH1A1CYP3A4CA2MAPK1KDM4E
SCHEMBL2250221 0.75 CA2 (0.43) ALDH1A1CYP3A4CA2MAPK1KDM4E
SCHEMBL9193145 0.75 CA2 (0.43) ALDH1A1CYP3A4CA2MAPK1KDM4E

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