SCHEMBL31048314

SCHEMBL31048314

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.62
CTSS P25774 4/20 0.58
PPARG P37231 2/20 0.57
ATM Q13315 1/20 0.53
SYK P43405 1/20 0.53
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 2/20 0.49
RAB9A P51151 1/20 0.48
CTSL P07711 2/20 0.46
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
APP P05067 1/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL18407225 0.91 PPARA (0.69) PPARACTSSPPARGATMSYK
SCHEMBL31266138 0.90 PPARA (0.62) PPARACTSSPPARGATMSYK
SCHEMBL212797 0.90 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL212796 0.90 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL1132570 0.90 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL25467757 0.87 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL903406 0.87 ATM (0.65) PPARACTSSPPARGATMSYK
SCHEMBL27538401 0.87 ATM (0.65) PPARACTSSPPARGATMSYK
SCHEMBL3575301 0.86 PPARA (0.61) PPARACTSSPPARGATMSYK
SCHEMBL2190698 0.86 PPARA (0.61) PPARACTSSPPARGATMSYK

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