SCHEMBL8630008

SCHEMBL8630008

CCCCc1ccc[n+](CB(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 2/20 0.41
▸ LPL P06858 2/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39
▸ CNR2 P34972 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PCSK9 Q8NBP7 1/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA10 Q9GZZ6 1/20 0.36
▸ CHRNA9 Q9UGM1 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL5293341 0.81 LMNA (0.54) GGPS1HDAC1
SCHEMBL5305648 0.80 CHRNA7 (0.49) GGPS1HSD11B1HDAC1CHRNA7CHRNA10
SCHEMBL5298421 0.79 GGPS1 (0.48) GGPS1HDAC1CA2HDAC4
Hydrochloric Acid SCHEMBL30330219 0.77 GGPS1 (0.47) GGPS1HDAC1CA2HDAC4MEN1
SCHEMBL5305304 0.77 HDAC1 (0.49) GGPS1HDAC1HDAC4
SCHEMBL5298519 0.77 HDAC1 (0.53) GGPS1HDAC1HDAC4
Fluoride Ion SCHEMBL30329816 0.77 GGPS1 (0.47) GGPS1HDAC1CA2HDAC4
SCHEMBL5817543 0.76 GGPS1 (0.53) GGPS1HDAC1CHRNA7CHRNA10CHRNA9
Water SCHEMBL30259465 0.76 HDAC1 (0.55) HDAC1CHRNA7CHRNA10CHRNA9HDAC4
SCHEMBL5290862 0.76 HDAC1 (0.55) HDAC1HDAC4

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-5804219-A INCORPORATING WATER SOLUBLE POLYMERS, OTHER THAN ENZYMES, INTO LAUNDERING PROCESS; POLYMERS SUCH AS POLYVINYLPYRROLIDONE AND POLY(4-VINYLPYRIDINE N-OXIDE) THE PROCTER & GAMBLE COMPANY (US) 1998-09-08 — — US claimed
US-5354740-A For phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1994-10-11 — — US claimed
EP-0624315-B1 Diaryl(pyridinio and isoquinolinio) boron fungicidal agents AMERICAN CYANAMID CO (US) 1998-07-01 — — EP disclosed
EP-0624315-A1 Diaryl(pyridinio and isoquinolinio) boron fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-11-17 — — EP disclosed
US-5354740-A For phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1994-10-11 — — US disclosed
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