SCHEMBL10440418

SCHEMBL10440418

CC1(C)c2cc(O)ccc2OC1N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 1.00
OPRM1 P35372 12/20 0.46
OPRK1 P41145 11/20 0.46
OPRD1 P41143 9/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
PPP1CA P62136 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL11271031 0.89 GAA (0.80) GAAOPRM1OPRK1OPRD1MEN1
SCHEMBL11258412 0.87 GAA (0.78) GAAOPRM1OPRK1OPRD1MEN1
SCHEMBL11625579 0.84 GAA (0.73) GAAKDM4EALDH1A1
SCHEMBL10440416 0.80 GAA (0.66) GAAALDH1A1MEN1KMT2A
SCHEMBL17264204 0.78 GAA (0.64) GAAALDH1A1
SCHEMBL11804406 0.78 GAA (0.63) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL11648792 0.77 GAA (0.63) GAAKDM4EALDH1A1MAPTMEN1
SCHEMBL11846638 0.77 GAA (0.62) GAAKDM4EALDH1A1MAPTMEN1
SCHEMBL10440188 0.77 GAA (0.62) GAATMEM97SIGMAR1ALDH1A1HPGD
SCHEMBL11258761 0.76 GAA (0.61) GAAKDM4EALDH1A1HPGDKMT2A

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
EP-0379174-A2 2,3-Dihydro-3,3-dimethyl-5-trifluoromethanesulfonyloxybenzofurans, process for producing them and herbicides containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-07-25 EP 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-4014904-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed
US-3951664-A Light-sensitive material having developers embedded therein AGFA-GEVAERT, A.G. (DT) 1976-04-20 US disclosed
US-3946048-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3933507-A LIGHT INSENSITIVE SILVER SALT, POLYMETHINE SENSITIZER AGFA-GEVAERT, A.G. (DT) 1976-01-20 US disclosed