SCHEMBL24100124

SCHEMBL24100124

CC(C)(C)OC(=O)c1ccc(N2CCOc3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.49
▸ SRD5A1 P18405 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SCN9A Q15858 3/20 0.36
▸ RARA P10276 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ KCNQ2 O43526 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
SCHEMBL22226918 0.90 USP30 (0.48) USP30SRD5A1KDM4EHSD17B10ALDH1A1
SCHEMBL22226875 0.86 HPGD (0.51) USP30HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL22226788 0.84 USP30 (0.42) USP30SRD5A1KDM4EL3MBTL1MAPK1
SCHEMBL22226783 0.83 GRM5 (0.44) USP30SRD5A1POLBKMT2APIK3CD
SCHEMBL22226001 0.81 USP30 (0.42) USP30SRD5A1KDM4EPOLBSIRT2
SCHEMBL28617165 0.80 SCN9A (0.51) ALDH1A1MEN1KMT2ASCN9ANPC1
SCHEMBL22207535 0.79 USP30 (0.37) USP30SRD5A1KDM4EGAAHSD17B10
SCHEMBL22226787 0.79 SRD5A1 (0.38) USP30SRD5A1POLBALDH1A1SIRT2
SCHEMBL22226786 0.79 SRD5A1 (0.36) USP30SRD5A1SIRT2SIRT1SCN9A
SCHEMBL22227203 0.79 USP30 (0.43) USP30KDM4EL3MBTL1ALDH1A1MAPK1

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
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 — — EP disclosed
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