SCHEMBL31228226

SCHEMBL31228226

CC(C)(C)OC(=O)N1[C@@H](C(CO)C2CC2)COC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.44
BRD4 O60885 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HSD11B2 P80365 1/20 0.32
NR1H2 P55055 1/20 0.32
HCRTR2 O43614 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
RECQL P46063 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL31526657 0.90 SPHK1 (0.43) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL31526710 0.87 SPHK1 (0.42) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL31526499 0.86 SPHK1 (0.41) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL31526784 0.86 SPHK1 (0.41) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15894773 0.84 SPHK1 (0.42) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL31228486 0.84 SPHK1 (0.40) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15318915 0.83 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15318918 0.83 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15318917 0.83 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL31228312 0.83 SPHK1 (0.44) 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