SCHEMBL22226786

SCHEMBL22226786

CC(C)(C)OC(=O)c1ccc(N2CCOc3nc(C(=O)O)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.36
▸ USP30 Q70CQ3 2/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ DGAT1 O75907 4/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL22227198 0.91 USP30 (0.37) SRD5A1USP30SIRT2SIRT1GPR119
SCHEMBL22227273 0.87 HPGD (0.35) SRD5A1USP30GPR119HDAC4
SCHEMBL22226002 0.86 SRD5A1 (0.36) SRD5A1USP30SIRT2SIRT1GRM5
SCHEMBL22226788 0.79 USP30 (0.42) SRD5A1USP30SIRT2SIRT1GPR119
SCHEMBL24100124 0.79 USP30 (0.49) SRD5A1USP30SIRT2SIRT1SCN9A
SCHEMBL22226787 0.79 SRD5A1 (0.38) SRD5A1USP30SIRT2SIRT1CA12
SCHEMBL22227157 0.78 MEN1 (0.36) SRD5A1SIRT2SIRT1GPR119HDAC4
SCHEMBL19859484 0.77 DGAT1 (0.48) DGAT1
SCHEMBL22207532 0.76 USP30 (0.35) SRD5A1USP30SIRT2SIRT1GPR119
SCHEMBL22227019 0.74 GNE (0.43) NPC1

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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