SCHEMBL31228481

SCHEMBL31228481

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.30
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
USP30 Q70CQ3 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
SCHEMBL31228472 0.89 HSD17B10 (0.33) HSD17B10SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL31228310 0.84 HSD17B10 (0.30) HSD17B10
SCHEMBL31228346 0.80 HSD17B10 (0.34) HSD17B10SMN1; SMN2KMT2APOLB
SCHEMBL25187691 0.74 USP30 (0.48) HSD17B10KMT2AHPGDALDH1A1MAPT
SCHEMBL25187693 0.74 USP30 (0.48) HSD17B10KMT2AHPGDALDH1A1MAPT
SCHEMBL31153642 0.73 USP30 (0.38) KMT2AHPGDALDH1A1MAPTUSP30
SCHEMBL31228531 0.73 KLK7 (0.39) KMT2AMAPK1RAB9AL3MBTL1
SCHEMBL31228414 0.72 KMT2A (0.32) SMN1; SMN2KMT2A
SCHEMBL31228306 0.71 MMP13 (0.40) KMT2A
SCHEMBL31228409 0.71

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