SCHEMBL31048421

SCHEMBL31048421

[2H]C([2H])(OCCC(=O)OC(C)(C)C)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
CTSS P25774 4/20 0.52
PPARG P37231 2/20 0.50
SYK P43405 1/20 0.47
ATM Q13315 1/20 0.47
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
RAB9A P51151 1/20 0.41
ACE P12821 1/20 0.41
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
MAPT P10636 1/20 0.40
REN P00797 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL31048196 0.96 PPARA (0.52) PPARACTSSPPARGSYKATM
SCHEMBL30927572 0.91 PPARA (0.58) PPARACTSSPPARGSYKATM
SCHEMBL18407225 0.84 PPARA (0.69) PPARACTSSPPARGSYKATM
SCHEMBL29997843 0.83 ATM (0.60) PPARACTSSSYKATMKLK5
SCHEMBL31048314 0.83 PPARA (0.62) PPARACTSSPPARGSYKATM
SCHEMBL24383269 0.82 SYK (0.58) PPARACTSSPPARGSYKATM
SCHEMBL31048401 0.81 PPARA (0.56) PPARACTSSPPARGSYKATM
SCHEMBL212796 0.81 PPARA (0.65) PPARACTSSPPARGSYKATM
SCHEMBL212797 0.81 PPARA (0.65) PPARACTSSPPARGSYKATM
SCHEMBL25467757 0.81 PPARA (0.65) PPARACTSSPPARGSYKATM

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-2024178304-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-08-29 WO disclosed