SCHEMBL31228349

SCHEMBL31228349

COC(=O)[C@H](C(C)C1CC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.39
CA12 O43570 1/20 0.39
TSHR P16473 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
THRB P10828 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
HSD11B1 P28845 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL7020025 0.81 CA12 (0.38) CA14CA12AAK1MMP13
SCHEMBL13682813 0.81 CA12 (0.38) CA14CA12AAK1MMP13
SCHEMBL21492497 0.80 CA12 (0.36) CA14CA12CHRNB2CHRNB4CHRNA3
SCHEMBL21492499 0.80 CA12 (0.36) CA14CA12CHRNB2CHRNB4CHRNA3
SCHEMBL28334313 0.80 CA12 (0.37) CA14CA12AAK1MMP13
SCHEMBL30878165 0.78 THRB (0.38) CA14CA12TSHRTHRBAAK1
SCHEMBL25385348 0.77 CA12 (0.36) CA14CA12AAK1
SCHEMBL25980518 0.77 GAA (0.38) CA14CA12TSHRTHRB
SCHEMBL20462074 0.76 ALOX5 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4AAK1
SCHEMBL24439779 0.76 ALOX5 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688789-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
WO-2024211663-A9 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-01-30 WO disclosed
WO-2024211663-A1 CONDENSED MACROCYCLIC COMPOUNDS AS RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-10-10 WO disclosed