SCHEMBL9705655

SCHEMBL9705655

CC(C)(C)OC(=O)N1[C@@H](CC2CCCCC2)[C@H](c2nccs2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 2/20 0.33
CTSD P07339 1/20 0.33
FAAH O00519 1/20 0.32
ADAM17 P78536 1/20 0.32
RABGGTB P53611 1/20 0.32
RABGGTA Q92696 1/20 0.32
FEN1 P39748 1/20 0.31
PKM P14618 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
DRD4 P21917 1/20 0.31
LMNA P02545 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL9706174 0.85 CNR1 (0.35) POLBGPR119EPHX2BACE1CTSD
SCHEMBL9705697 0.78 GRIN2B (0.34) POLBGPR119MEN1KMT2A
SCHEMBL7280493 0.76 EPHX1 (0.33) MEN1KMT2ABACE1CTSDRABGGTB
SCHEMBL7284224 0.76 EPHX1 (0.33) MEN1KMT2ABACE1CTSDRABGGTB
SCHEMBL9183699 0.76 EPHX1 (0.33) MEN1KMT2ABACE1CTSDRABGGTB
SCHEMBL9438077 0.76 RABGGTB (0.34) GPR119MEN1KMT2ABACE1CTSD
SCHEMBL9845923 0.76 GPR119 (0.37) GPR119MEN1KMT2ARABGGTBRABGGTA
SCHEMBL9841957 0.75 SMN1; SMN2 (0.35) MEN1KMT2ABACE1CTSDRABGGTB
SCHEMBL7286513 0.75 SMN1; SMN2 (0.35) MEN1KMT2ABACE1CTSDRABGGTB
SCHEMBL7378315 0.75 SMN1; SMN2 (0.41) GPR119MEN1KMT2AFAAHRABGGTB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4266877-A None JP disclosed
JP-H04266877-A AMINODIOL DERIVATIVE HOECHST AG 1992-09-22 JP disclosed
EP-0487980-A1 Aminodiols-derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-03 EP disclosed