SCHEMBL22226001

SCHEMBL22226001

CC(C)(C)OC(=O)c1ccc(N2CCOc3cc(Cl)ncc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.42
▸ PIK3CD O00329 6/20 0.39
▸ PIK3CA P42336 4/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SRD5A1 P18405 1/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ CRBN Q96SW2 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL22226788 0.87 USP30 (0.42) USP30PIK3CDPIK3CAMAPTGRM5
SCHEMBL22227203 0.86 USP30 (0.43) USP30PIK3CDPIK3CANPC1RAB9A
SCHEMBL22227265 0.82 USP30 (0.41) USP30PIK3CDPIK3CAPOLBKDM4E
SCHEMBL24100124 0.81 USP30 (0.49) USP30PIK3CDPIK3CANPC1POLB
SCHEMBL22226918 0.80 USP30 (0.48) USP30PIK3CDNPC1MAPTRAB9A
SCHEMBL22226783 0.79 GRM5 (0.44) USP30PIK3CDPIK3CANPC1POLB
SCHEMBL24100933 0.77 GRM5 (0.42) USP30PIK3CDPIK3CAGRM5SRD5A1
SCHEMBL23088331 0.77 USP30 (0.44) USP30PIK3CAPOLBMAPTGRM5
SCHEMBL22226875 0.76 HPGD (0.51) USP30SMN1; SMN2
SCHEMBL22227202 0.76 USP30 (0.42) USP30PIK3CDPIK3CANPC1MAPT

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-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 — — EP disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 — — WO disclosed
Send feedback