SCHEMBL31228312

SCHEMBL31228312

CC(C1CC1)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.44
BRD4 O60885 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B2 P80365 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
HCRTR2 O43614 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
DDB1 Q16531 2/20 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
SCHEMBL15318918 0.86 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15318915 0.86 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15318917 0.86 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL18878400 0.86 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL12396343 0.86 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15336587 0.85 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL16553346 0.85 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL30669036 0.85 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL16553345 0.85 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL30669043 0.83 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3

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