SCHEMBL22227203

SCHEMBL22227203

COC(=O)c1cc2c(cn1)N(c1ccc(C(=O)OC(C)(C)C)cc1)CCO2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.43
▸ PIK3CD O00329 4/20 0.41
▸ GPR119 Q8TDV5 1/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ CPT1B Q92523 1/20 0.35

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 0.91 USP30 (0.42) USP30PIK3CDGPR119PIK3CAMAPK1
SCHEMBL22227265 0.87 USP30 (0.41) USP30PIK3CDPIK3CAALDH1A1CYP2C9
SCHEMBL22226001 0.86 USP30 (0.42) USP30PIK3CDPIK3CASCN9ANPC1
SCHEMBL22226918 0.84 USP30 (0.48) USP30PIK3CDALDH1A1SCN9ANPC1
SCHEMBL22227202 0.81 USP30 (0.42) USP30PIK3CDPIK3CAMAPK1ALDH1A1
SCHEMBL22227198 0.80 USP30 (0.37) USP30PIK3CDGPR119PIK3CAMAPK1
SCHEMBL24100124 0.79 USP30 (0.49) USP30PIK3CDPIK3CAMAPK1ALDH1A1
SCHEMBL22226783 0.76 GRM5 (0.44) USP30PIK3CDPIK3CANPC1RAB9A
SCHEMBL24100933 0.76 GRM5 (0.42) USP30PIK3CDPIK3CACRBN
SCHEMBL22226875 0.75 HPGD (0.51) USP30ALDH1A1KMT2ACYP2C9SMN1; SMN2

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
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