SCHEMBL31250822

SCHEMBL31250822

COC(=O)CCCN1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CTSK P43235 2/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DRD2 P14416 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM1A O60341 1/20 0.33
CA1 P00915 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31250954 0.88 CYP1A2 (0.36) CTSKGAAMAOAMAOBHRH3
SCHEMBL25235574 0.84 CTSK (0.36) CA2CTSKGAAMAOAMAOB
SCHEMBL25529790 0.84 CTSK (0.36) CA2CTSKGAAMAOAMAOB
SCHEMBL24037096 0.84 CTSK (0.36) CA2CTSKGAAMAOAMAOB
SCHEMBL31250609 0.81 CTSK (0.37) CA2CA12CA14CTSKTSHR
SCHEMBL31250919 0.79 MEN1 (0.40) CA2CTSKTSHRDRD2CA1
SCHEMBL31250880 0.79 CTSK (0.51) CA2CTSKDRD2CA1SMN1; SMN2
SCHEMBL7578857 0.78 KCNA3 (0.52) CA2CTSKDRD2CA1SMN1; SMN2
SCHEMBL31250987 0.78 KCNA3 (0.40) CA2CTSKDRD2KDM1ACA1
SCHEMBL21063404 0.77 CTSK (0.48) CA2CA12CA14CTSKGAA

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-4720058-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF Casma Therapeutics, Inc. (US) 2026-04-08 EP disclosed
WO-2024249291-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF CASMA THERAPEUTICS, INC. (US) 2024-12-05 WO disclosed