SCHEMBL4753435

SCHEMBL4753435

C#COc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ACHE P22303 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6219833 0.79 ALDH1A1 (0.58) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.76 CA1 (1.00) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL8489 0.76 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL2402190 0.74 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL11115656 0.74 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL187127 0.74 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL13905968 0.74 CYP2A6 (0.42) CA1CA2CA9MAPK1ALDH1A1
SCHEMBL96667 0.74 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL4753072 0.74 NFE2L2 (0.37) CA1CA2CA7CA9ACHE
SCHEMBL1417001 0.74 LMNA (0.42) CA1CA2CA9TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172259-B1 NOVEL POLYMERS CONTAINING SULPHONAMIDE SODIUM OR LITHIUM SALTS, PRODUCTION METHODS THEREOF AND USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2021-05-19 EP claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-3172259-A1 NOVEL POLYMERS CONTAINING SULPHONAMIDE SODIUM OR LITHIUM SALTS, PRODUCTION METHODS THEREOF AND USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP-Innovation (FR) 2017-05-31 EP claimed
WO-2016012669-A1 NOVEL POLYMERS CONTAINING SULPHONAMIDE SODIUM OR LITHIUM SALTS, PRODUCTION METHODS THEREOF AND USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2016-01-28 WO claimed
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP claimed
EP-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP claimed
EP-0766664-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-04-05 EP claimed
EP-0159584-B1 N-(AZOLYLCARBAMOYL)-HYDROXYL AMINES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1989-01-18 EP claimed
EP-3172259-B1 NOVEL POLYMERS CONTAINING SULPHONAMIDE SODIUM OR LITHIUM SALTS, PRODUCTION METHODS THEREOF AND USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2021-05-19 EP disclosed
EP-3172259-A1 NOVEL POLYMERS CONTAINING SULPHONAMIDE SODIUM OR LITHIUM SALTS, PRODUCTION METHODS THEREOF AND USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP-Innovation (FR) 2017-05-31 EP disclosed
WO-2016012669-A1 NOVEL POLYMERS CONTAINING SULPHONAMIDE SODIUM OR LITHIUM SALTS, PRODUCTION METHODS THEREOF AND USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2016-01-28 WO disclosed