SCHEMBL31074181

SCHEMBL31074181

CC(COCCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSK P43235 9/20 0.41
CTSS P25774 6/20 0.41
CYP2D6 P10635 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
PPARA Q07869 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL21521117 0.86 CA2 (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL25702483 0.86 CA1 (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL25423854 0.86 CA1 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL19084258 0.85 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL22405806 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL22405880 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL22405809 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL16668258 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL16668472 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL321141 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS

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-2024149234-A1 PARP7 INHIBITORS AND USES THEREOF Angel Pharmaceutical Co., Ltd. (CN) 2024-07-18 WO disclosed