SCHEMBL9813892

SCHEMBL9813892

C[C@H](Cc1ccc(OCCOCCOc2ccccc2)cc1)N(CC(O)c1ccccc1)C[C@H](O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAOB P27338 6/20 0.44
▸ ALOX15 P16050 1/20 0.42
▸ AOC3 Q16853 2/20 0.40
▸ PPARG P37231 2/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ SLC2A1 P11166 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ LTA4H P09960 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
SCHEMBL9813972 0.93 FFAR1 (0.45) MEN1KMT2AMAOBALOX15SIGMAR1
SCHEMBL9813975 0.93 FFAR1 (0.45) MEN1KMT2AMAOBALOX15SIGMAR1
SCHEMBL9813971 0.93 FFAR1 (0.45) MEN1KMT2AMAOBALOX15SIGMAR1
SCHEMBL9813963 0.93 FFAR1 (0.45) MEN1KMT2AMAOBALOX15SIGMAR1
SCHEMBL9813947 0.93 MEN1 (0.45) MEN1KMT2AMAOBALOX15AOC3
SCHEMBL9813940 0.91 MAOB (0.47) MEN1KMT2AMAOBALOX15PPARG
SCHEMBL10526931 0.89 ADRB2 (0.49) MEN1KMT2AMAOBALOX15AOC3
SCHEMBL10526922 0.89 ADRB2 (0.49) MEN1KMT2AMAOBALOX15AOC3
Hydrochloric Acid SCHEMBL10528667 0.88 ADRB2 (0.48) MEN1KMT2AMAOBALOX15AOC3
Hydrochloric Acid SCHEMBL10528673 0.88 ADRB2 (0.48) MEN1KMT2AMAOBALOX15AOC3

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-5017619-A Anitdiabetic HOFFMANN-LA ROCHE INC. (US) 1991-05-21 — — US disclosed
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