SCHEMBL25437213

SCHEMBL25437213

CC(=O)OCC(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 10/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 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
SCHEMBL8496933 0.81 TDP1 (0.50) ALDH1A1TP53MAPTRAB9AL3MBTL1
SCHEMBL2025855 0.80 RAB9A (0.49) ALDH1A1TP53MAPTRAB9ANPC1
SCHEMBL18780592 0.80 RAB9A (0.53) ALDH1A1TP53MAPTRAB9ANPC1
SCHEMBL26828140 0.79 ALDH1A1 (0.50) ALDH1A1TP53MAPTRAB9AL3MBTL1
SCHEMBL13996243 0.79 RAB9A (0.51) ALDH1A1TP53MAPTRAB9ANPC1
SCHEMBL9028343 0.76 AKR1C3 (0.36) ALDH1A1RAB9AL3MBTL1KDM4ELMNA
SCHEMBL2904236 0.76 TPSAB1 (0.49) ALDH1A1TP53MAPTRAB9AL3MBTL1
SCHEMBL14446152 0.76 L3MBTL1 (0.66) ALDH1A1RAB9ANPC1L3MBTL1KDM4E
SCHEMBL2904241 0.76 TPSAB1 (0.49) ALDH1A1TP53MAPTRAB9AL3MBTL1
SCHEMBL14567934 0.76 ALDH1A1 (0.48) ALDH1A1TP53MAPTRAB9ANPC1

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
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 — — WO disclosed
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 — — WO disclosed
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