SCHEMBL30259385

SCHEMBL30259385

COC(=O)CSC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
PPARG P37231 4/20 0.57
PPARA Q07869 4/20 0.57
CYP3A4 P08684 5/20 0.56
APP P05067 4/20 0.53
PPARD Q03181 2/20 0.52
ACE P12821 1/20 0.50
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
AGTR1 P30556 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL10952114 0.90 ATM (0.62) ATMPPARGPPARACYP3A4APP
SCHEMBL7279574 0.90 ATM (0.68) ATMPPARGPPARACYP3A4APP
SCHEMBL8829866 0.90 CYP1A2 (0.59) ATMPPARGPPARACYP3A4APP
SCHEMBL6890593 0.90 CYP1A2 (0.59) ATMPPARGPPARACYP3A4APP
SCHEMBL18589486 0.88 PPARG (0.56) ATMPPARGPPARACYP3A4APP
SCHEMBL18607816 0.88 PPARG (0.56) ATMPPARGPPARACYP3A4APP
SCHEMBL7239876 0.84 ATM (0.67) ATMCYP3A4APPACECTSS
SCHEMBL6896458 0.84 ATM (0.67) ATMCYP3A4APPACECTSS
SCHEMBL13770955 0.84 ATM (0.67) ATMCYP3A4APPACECTSS
SCHEMBL23168374 0.83 ATM (0.65) ATMCYP3A4APPACECTSS

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-2023043836-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2023-03-23 WO disclosed