SCHEMBL9685227

SCHEMBL9685227

C[C@H](Cc1ccc(OCCOCCc2ccccc2)cc1)ONC[C@H](O)COc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CASR P41180 1/20 0.48
▸ ADRB1 P08588 4/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ ADRB2 P07550 3/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ CYP2J2 P51589 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ ADRB3 P13945 1/20 0.46
▸ NPY1R P25929 1/20 0.45

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
SCHEMBL9787241 0.86 MEN1 (0.64) MEN1KMT2AALDH1A1ADRB1CYP2D6
SCHEMBL9787233 0.86 MEN1 (0.64) MEN1KMT2AALDH1A1ADRB1CYP2D6
SCHEMBL10792807 0.82 ADRB1 (0.67) MEN1KMT2AADRB1CYP2D6ADRB2
Hydrochloric Acid SCHEMBL10790452 0.81 ADRB1 (0.66) MEN1KMT2AADRB1CYP2D6ADRB2
SCHEMBL9684232 0.80 ABCB1 (0.48) MEN1KMT2AALDH1A1CASRADRB1
SCHEMBL9684871 0.79 ADRB1 (0.58) MEN1KMT2AALDH1A1ADRB1ADRB2
SCHEMBL9684876 0.79 ADRB1 (0.58) MEN1KMT2AALDH1A1ADRB1ADRB2
SCHEMBL11097637 0.79 CYP2D6 (0.67) MEN1KMT2AALDH1A1CASRADRB1
Hydrochloric Acid SCHEMBL10791088 0.78 CYP2D6 (0.66) MEN1KMT2AALDH1A1CASRADRB1
SCHEMBL10789731 0.74 ADRB1 (0.70) MEN1KMT2AADRB1CYP2D6ADRB2

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
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 — — US disclosed
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