SCHEMBL9684232

SCHEMBL9684232

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.48
▸ POLB P06746 1/20 0.45
▸ FFAR1 O14842 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAOB P27338 1/20 0.42
▸ CASR P41180 1/20 0.42
▸ ADRB1 P08588 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ CYP2J2 P51589 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL9813971 0.86 FFAR1 (0.45) FFAR1MEN1KMT2AMAOBSIGMAR1
SCHEMBL9813972 0.86 FFAR1 (0.45) FFAR1MEN1KMT2AMAOBSIGMAR1
SCHEMBL9813963 0.86 FFAR1 (0.45) FFAR1MEN1KMT2AMAOBSIGMAR1
SCHEMBL9813975 0.86 FFAR1 (0.45) FFAR1MEN1KMT2AMAOBSIGMAR1
SCHEMBL9782739 0.83 ABCB1 (0.37) ABCB1POLBFFAR1MEN1KMT2A
SCHEMBL9683564 0.81 ADRB3 (0.52) ABCB1POLBMEN1KMT2AMAOB
SCHEMBL9683556 0.81 ADRB3 (0.52) ABCB1POLBMEN1KMT2AMAOB
SCHEMBL9813892 0.81 MEN1 (0.46) MEN1KMT2AMAOBADRB1ADRB2
SCHEMBL9812047 0.81 ABCB1 (0.53) ABCB1POLBMAOBADRB1CYP2D6
SCHEMBL9812066 0.81 ABCB1 (0.53) ABCB1POLBMAOBADRB1CYP2D6

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 4 patents. 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 claimed
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 — — EP claimed
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 — — US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 — — US disclosed
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