SCHEMBL31048401

SCHEMBL31048401

[2H]C([2H])(OCc1ccccc1)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.56
ATM Q13315 1/20 0.53
SYK P43405 1/20 0.53
CTSS P25774 4/20 0.53
PPARG P37231 2/20 0.51
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
RAB9A P51151 1/20 0.46
CTSK P43235 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
APP P05067 2/20 0.44
ACE P12821 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1132570 0.87 PPARA (0.65) PPARAATMSYKCTSSPPARG
SCHEMBL212797 0.87 PPARA (0.65) PPARAATMSYKCTSSPPARG
SCHEMBL212796 0.87 PPARA (0.65) PPARAATMSYKCTSSPPARG
SCHEMBL35211707 0.85 PPARA (0.59) PPARAATMSYKCTSSPPARG
SCHEMBL1363391 0.85 PPARA (0.59) PPARAATMSYKCTSSPPARG
SCHEMBL31048314 0.85 PPARA (0.62) PPARAATMSYKCTSSPPARG
SCHEMBL1569316 0.85 PPARA (0.59) PPARAATMSYKCTSSPPARG
SCHEMBL31048196 0.83 PPARA (0.52) PPARAATMSYKCTSSPPARG
SCHEMBL18407225 0.83 PPARA (0.69) PPARAATMSYKCTSSPPARG
SCHEMBL13040196 0.82 PPARA (0.56) PPARAATMSYKCTSSPPARG

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