SCHEMBL24543133

SCHEMBL24543133

CC(C)(C)OC(=O)N[C@]12C[C@](c3ccc(C=O)cn3)(C1)C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 3/20 0.35
▸ DPP9 Q86TI2 3/20 0.35
▸ MIF P14174 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ MAPKAPK2 P49137 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
SCHEMBL29730163 1.00 DPP8 (0.35) DPP8DPP9MIFRAB9ANPC1
SCHEMBL29730116 0.88 DPP8 (0.34) DPP8DPP9MIFRAB9ANPC1
SCHEMBL29730079 0.83 DPP8 (0.35) DPP8DPP9IDO1NR1H4CYP17A1
SCHEMBL29730095 0.81 MAPKAPK2 (0.36) DPP8DPP9RAB9ANPC1SMN1; SMN2
SCHEMBL24543134 0.81 MAPKAPK2 (0.36) DPP8DPP9RAB9ANPC1SMN1; SMN2
SCHEMBL29730100 0.81 RET (0.35) DPP8DPP9RAB9ANPC1IDO1
SCHEMBL31736645 0.81 MIF (0.38) DPP8DPP9MIFRAB9ANPC1
SCHEMBL29730109 0.81 MAPK1 (0.43) DPP8DPP9RAB9ANPC1KDM4E
SCHEMBL27202134 0.81 MAPK1 (0.43) DPP8DPP9RAB9ANPC1KDM4E
SCHEMBL27202128 0.81 KDM4E (0.33) KDM4E

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
WO-2022129933-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Pandeia Therapeutics Limited (GB) 2022-06-23 — — WO disclosed
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