SCHEMBL6053385

SCHEMBL6053385

COC(=O)C1=[N+]C=CC=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.35
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA9 Q16790 5/20 0.34
CA12 O43570 4/20 0.34
CA7 P43166 4/20 0.34
CA14 Q9ULX7 4/20 0.34
XDH P47989 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CFTR P13569 1/20 0.34
POLB P06746 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL6053111 0.73
SCHEMBL8089517 0.71
SCHEMBL11079685 0.71 CTSD (0.34) LMNACA1CA2CA9ALDH1A1
SCHEMBL27209677 0.64 TSHR (0.39) TSHRLMNACA1CA2CA9
SCHEMBL31295488 0.60 TSHR (0.40) TSHRLMNACA1CA2CA9
SCHEMBL9388982 0.60 CA1 (0.38) TSHRLMNACA1CA2CA9
SCHEMBL4924820 0.58 ALDH1A1 (0.35) TSHRLMNACA1CA2CA9
Dimethyl Phthalate SCHEMBL23276285 0.58 TSHR (0.65) TSHRLMNACA1CA2CA9
Dimethyl Phthalate SCHEMBL31169078 0.58 TSHR (0.65) TSHRLMNACA1CA2CA9
Dimethyl Phthalate SCHEMBL28404092 0.58 TSHR (0.65) TSHRLMNACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498200-B1 OXIRANE OR OXETANE RING COMPOUND, ORGANIC PEROXIDE, ONIUM SALT CATALYST, AND ALKALINE FILLER; CURES RAPIDLY; STABLE DOES NOT CAUSE INCREASE IN ELECTROCONDUCTIVITY OR CORROSION; SEALANT, BINDER, ENCAPSULATING AGENT, DIELECTRIC FILM NAMICS CORPORATION (JP) 2002-12-24 US claimed
EP-0873687-B2 Disinfecting and fungicidal composition based on peracetic acid and an amine oxide CHEMOXAL SA (FR) 2006-04-26 EP disclosed
EP-0873687-B1 Disinfecting and fungicidal composition based on peracetic acid and an amine oxide CHEMOXAL SA (FR) 2002-06-05 EP disclosed
EP-0873687-A1 Disinfecting and fungicidal composition based on peracetic acid and an amine oxide CHEMOXAL SA (FR) 1998-10-28 EP disclosed