SCHEMBL11212966

SCHEMBL11212966

CC1(C)COc2ccc(C(=O)Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.58
RARG P13631 7/20 0.58
RARA P10276 6/20 0.58
PTGS1 P23219 7/20 0.56
PTGS2 P35354 7/20 0.56
RXRA P19793 2/20 0.53
NOTUM Q6P988 2/20 0.44
ALOX5 P09917 4/20 0.41
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
CNR2 P34972 1/20 0.38

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
SCHEMBL1018488 0.87 RARB (0.45) RARBRARGRARAPTGS1PTGS2
SCHEMBL3547915 0.85 RARB (0.63) RARBRARGRARAPTGS1PTGS2
SCHEMBL3542625 0.85 RARB (0.71) RARBRARGRARAPTGS1PTGS2
SCHEMBL9133271 0.84 RARB (0.60) RARBRARGRARAPTGS1PTGS2
Hydrochloric Acid SCHEMBL11212968 0.84 RARB (0.69) RARBRARGRARAPTGS1PTGS2
SCHEMBL13668358 0.83 RARB (0.41) RARBRARGRARAPTGS1PTGS2
SCHEMBL5658641 0.81 PTGS2 (0.64) RARBRARGRARAPTGS1PTGS2
SCHEMBL16744298 0.81 RARB (0.73) RARBRARGRARAPTGS1PTGS2
SCHEMBL5656242 0.81 RARB (0.55) RARBRARGRARAPTGS1PTGS2
SCHEMBL5654554 0.81 RARB (0.55) RARBRARGRARAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP disclosed