SCHEMBL11271031

SCHEMBL11271031

CC1(C)c2cc(O)ccc2OC1N1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.80
OPRK1 P41145 10/20 0.48
OPRM1 P35372 10/20 0.48
OPRD1 P41143 8/20 0.42
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
PPP1CA P62136 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CHRNA7 P36544 1/20 0.39

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
SCHEMBL11258412 0.99 GAA (0.78) GAAOPRK1OPRM1OPRD1MEN1
SCHEMBL10440418 0.89 GAA (1.00) GAAOPRK1OPRM1OPRD1MEN1
SCHEMBL11853476 0.76 GAA (0.49) GAA
SCHEMBL11248531 0.76 GAA (0.49) GAA
SCHEMBL11811037 0.76 GAA (0.49) GAAMEN1KMT2A
SCHEMBL11849570 0.75 GAA (0.48) GAA
SCHEMBL11260765 0.75 GAA (0.48) GAA
SCHEMBL11811094 0.74 GAA (0.47) GAAMEN1KMT2A
SCHEMBL11805113 0.74 GAA (0.47) GAAMEN1KMT2A
SCHEMBL11810511 0.74 GAA (0.47) GAAOPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4345932-A BENZOFURANYL ESTERS FISONS LIMITED (GB) 1982-08-24 US disclosed
US-4157255-A 2-AMINO-BENZOFURAN-2-YL METHANE SULFONATE FISONS LIMITED (GB) 1979-06-05 US disclosed
US-4120871-A HERBICIDES, PLANT GROWTH REGULATORS FISONS LIMITED (GB) 1978-10-17 US disclosed
US-4091033-A Method of making 2-alkoxy-2,3-dihydro-benzofuran-5-ols and their alkyl sulfonic acid esters FISONS LIMITED (EN) 1978-05-23 US disclosed
US-3951664-A Light-sensitive material having developers embedded therein AGFA-GEVAERT, A.G. (DT) 1976-04-20 US disclosed
US-3933507-A LIGHT INSENSITIVE SILVER SALT, POLYMETHINE SENSITIZER AGFA-GEVAERT, A.G. (DT) 1976-01-20 US disclosed