SCHEMBL9812040

SCHEMBL9812040

COC(=O)c1ccc(C[C@@H](C)N[C@H](O)Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ADRB1 P08588 1/20 0.49
▸ ADRB3 P13945 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL11233875 0.83 SIGMAR1 (0.63) CA1CA2RAB9ANPC1TSHR
Hydrochloric Acid SCHEMBL11179406 0.83 SIGMAR1 (0.63) CA1CA2RAB9ANPC1TSHR
SCHEMBL8882205 0.83 SIGMAR1 (0.66) CA1CA2RAB9ANPC1TSHR
SCHEMBL2990495 0.83 CA1 (0.58) CA1CA2RAB9ANPC1TSHR
SCHEMBL10822395 0.82 MGLL (0.50) CA1CA2RAB9ANPC1TSHR
SCHEMBL10822396 0.82 MGLL (0.50) CA1CA2RAB9ANPC1TSHR
SCHEMBL10508374 0.80 ADRB3 (0.77) ADRB1ADRB3CASP3
SCHEMBL11174788 0.80 ADRB3 (0.77) ADRB1ADRB3CASP3
SCHEMBL9006725 0.80 ADRB3 (0.77) ADRB1ADRB3CASP3
SCHEMBL7153662 0.80 ADRB3 (0.77) ADRB1ADRB3CASP3

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
EP-0170121-B1 2-HYDROXY-3-ARYLOXYPROPYL OR 2-HYDROXY-2-BENZOFURANYL ETHYL TERTIARY AMINE HAVING AN ANTI-HYPERGLYCAEMIC AND/OR ANTI-OBESITY ACTIVITY BEECHAM GROUP PLC (GB) 1991-06-19 — — EP disclosed
EP-0170121-A1 2-Hydroxy-3-aryloxypropyl or 2-hydroxy-2-benzofuranyl ethyl tertiary amine having an anti-hyperglycaemic and/or anti-obesity activity BEECHAM GROUP PLC (GB) 1986-02-05 — — EP disclosed
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