SCHEMBL23158643

SCHEMBL23158643

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.57
▸ CTSS P25774 1/20 0.57
▸ CTSK P43235 1/20 0.57
▸ MAPT P10636 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ TERT O14746 2/20 0.54
▸ TACR1 P25103 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NMBR P28336 2/20 0.51
▸ ACHE P22303 2/20 0.51
▸ BCHE P06276 1/20 0.51
▸ ESR1 P03372 1/20 0.51

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
SCHEMBL23158577 0.86 CTSS (0.51) CTSLCTSSCTSK
SCHEMBL23177644 0.86 CTSL (0.54) CTSLCTSSCTSKMAPTTP53
SCHEMBL23158632 0.85 TTR (0.50) CTSSCTSK
SCHEMBL23177649 0.85 TTR (0.50) CTSSCTSK
SCHEMBL23158641 0.84 HDAC8 (0.51) MAPTTERTSMN1; SMN2ACHEBCHE
SCHEMBL23158592 0.82 TTR (0.54) —
SCHEMBL23158797 0.82 TTR (0.46) CTSSCTSK
SCHEMBL23158581 0.81 TTR (0.45) CTSSCTSK
SCHEMBL23177646 0.81 TTR (0.45) CTSSCTSK
SCHEMBL23158609 0.81 TTR (0.50) —

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
WO-2021060351-A1 NSAID-BONDED ALGINIC ACID DERIVATIVE 持田製薬株式会社 2021-04-01 — — WO disclosed
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