SCHEMBL7286112

SCHEMBL7286112

CC(C)(C)OC(=O)COC1CCN(C(=O)CN(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ HSD11B1 P28845 1/20 0.40
▸ STS P08842 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ PTGIR P43119 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL8882305 0.81 HTT (0.38) JAK2JAK1ALDH1A1NPC1SIGMAR1
SCHEMBL7293030 0.80 JAK2 (0.43) JAK2JAK1HSD11B1STSRAB9A
SCHEMBL4121758 0.78 SMN1; SMN2 (0.57) STSNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7480840 0.78 ACHE (0.52) ALDH1A1MEN1LMNAKMT2A
SCHEMBL24126275 0.77 AKT1 (0.43) JAK2JAK1HSD11B1ALDH1A1CTSL
SCHEMBL8416981 0.77 AKT1 (0.43) JAK2JAK1HSD11B1ALDH1A1CTSL
SCHEMBL15707864 0.77 AKT1 (0.43) JAK2JAK1HSD11B1ALDH1A1CTSL
SCHEMBL8993974 0.76 SMN1; SMN2 (0.54) STSNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL18551726 0.74 SMN1; SMN2 (0.52) JAK2JAK1STSNPC1RAB9A
SCHEMBL29060009 0.74 SMN1; SMN2 (0.52) JAK2JAK1STSNPC1RAB9A

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-0505868-B1 N-Acyl-alpha-aminoacids derivatives HOFFMANN LA ROCHE (CH) 1995-09-13 — — EP disclosed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 — — EP disclosed
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