SCHEMBL27363396

SCHEMBL27363396

COc1cccc(C2(c3ccccc3O)CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.43
SLC6A2 P23975 7/20 0.43
OPRM1 P35372 4/20 0.43
SLC22A1 O15245 3/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
MEN1 O00255 1/20 0.43
OPRL1 P41146 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HDAC4 P56524 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL12893333 0.81 ESR1 (0.59) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL4057347 0.79 ALOX5AP (0.55) OPRM1KMT2AMEN1OPRL1ALDH1A1
SCHEMBL22830633 0.79 ESR1 (0.58) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL12893212 0.79 KDM1A (0.50) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL4552622 0.78 ESR1 (0.50) OPRM1KMT2AMEN1ALDH1A1ESR1
SCHEMBL4180702 0.75 OPRM1 (0.59) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL30567205 0.75 OPRM1 (0.59) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL17716503 0.75 ESR1 (0.76) OPRM1KMT2AMEN1ALDH1A1ESR1
Hydrochloric Acid SCHEMBL4464330 0.74 OPRM1 (0.58) SLC6A4SLC6A2OPRM1SLC22A1OPRD1
SCHEMBL31490381 0.74 ESR1 (0.46) KMT2AMEN1ALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1059895-C Method for preparing alkoxy substituted triphenylamine MITSUI TOATSU CHEMICALS (JP) 2000-12-27 CN disclosed
CN-1130174-A Method for preparing alkoxy substituted triphenylamine MITSUI TOATSU CHEMICALS (JP) 1996-09-04 CN disclosed