SCHEMBL22226783

SCHEMBL22226783

CC(C)(C)OC(=O)c1ccc(N2CCOc3cc(C(=O)O)cnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.44
▸ USP30 Q70CQ3 2/20 0.40
▸ CRBN Q96SW2 1/20 0.36
▸ PIK3CD O00329 3/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ SRD5A1 P18405 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL22227202 0.91 USP30 (0.42) GRM5USP30CRBNPIK3CDPIK3CA
SCHEMBL22226579 0.88 HPGD (0.43) GRM5USP30POLBKMT2A
SCHEMBL24100933 0.88 GRM5 (0.42) GRM5USP30CRBNPIK3CDPIK3CA
SCHEMBL24099642 0.87 SMN1; SMN2 (0.42) GRM5USP30PIK3CARAB9AMAPT
SCHEMBL24100527 0.87 HPGD (0.45) GRM5USP30POLBKMT2A
SCHEMBL24101118 0.86 HPGD (0.47) GRM5USP30PIK3CAKMT2A
SCHEMBL24100515 0.86 GRM5 (0.41) GRM5USP30CRBNPIK3CDPIK3CA
SCHEMBL22226872 0.85 USP30 (0.38) GRM5USP30CRBNPIK3CDPIK3CA
SCHEMBL24100386 0.85 USP30 (0.38) GRM5USP30CRBNPIK3CAVNN1
SCHEMBL22227266 0.84 HPGD (0.45) GRM5USP30CRBNPIK3CAVNN1

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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