SCHEMBL31228472

SCHEMBL31228472

C#C[C@@H]1[C@@H](C(=O)N(C)[C@H](C(=O)OC)C(C)C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
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
SCHEMBL31228481 0.89 HSD17B10 (0.38) HSD17B10NPC1ALDH1A1MAPTMAPK1
SCHEMBL31228310 0.86 HSD17B10 (0.30) HSD17B10
SCHEMBL31228414 0.83 KMT2A (0.32) KMT2ASMN1; SMN2
SCHEMBL31228409 0.82
SCHEMBL31228575 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL31153653 0.76 NR1H2 (0.30) SMN1; SMN2
SCHEMBL31228189 0.74 MMP3 (0.31) KMT2A
SCHEMBL31228509 0.74 MMP3 (0.31) KMT2A
SCHEMBL31228362 0.74 MMP3 (0.31) KMT2A
SCHEMBL31228607 0.70 ATM (0.31) RAB9AMEN1KMT2A

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