SCHEMBL31037720

SCHEMBL31037720

CC(C)(C)OC(=O)c1ccc(C(O)CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SLC7A5 Q01650 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RIPK1 Q13546 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 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
SCHEMBL31037713 0.84 FFAR1 (0.49) CA12CA1CA2CA9CA14
SCHEMBL8571706 0.84 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL12980325 0.84 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL3643386 0.83 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL277185 0.82 TSHR (0.50) CA12CA1CA2CA9CA14
SCHEMBL8567800 0.82 FFAR1 (0.48) CA12CA1CA2CA9CA14
SCHEMBL276357 0.79 MAPT (0.42) CA12CA1CA2CA9CA14
SCHEMBL8569485 0.79 CA12 (0.41) CA12CA1CA2CA9CA14
SCHEMBL28619548 0.79 LMNA (0.47) CA12CA1CA2CA9CA14
SCHEMBL24732028 0.78 CA12 (0.49) CA12CA1CA2CA9CA14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658667-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY Merck Sharp & Dohme LLC (US) 2025-12-10 EP disclosed
WO-2024163691-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC (US) 2024-08-08 WO disclosed