SCHEMBL11102439

SCHEMBL11102439

O=[C]OCCCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ NAAA Q02083 3/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ MIF P14174 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
SCHEMBL96961 1.00 MAPT (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL11103088 1.00 MAPT (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL11108660 1.00 MAPT (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL97331 1.00 MAPT (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL11103301 1.00 MAPT (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL2516 0.98 IDO1 (0.48) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL5543101 0.95 TDP1 (0.49) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL5547683 0.95 TDP1 (0.49) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL95268 0.95 TDP1 (0.49) MAPTRXFP1NAAASIGMAR1IDO1
SCHEMBL5537350 0.95 TDP1 (0.49) MAPTRXFP1NAAASIGMAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 — — EP disclosed
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