SCHEMBL31228368

SCHEMBL31228368

CC(C)[C@@H](C(=O)OCc1ccccc1)N(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KLK7 P49862 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GHSR Q92847 2/20 0.38
PARP1 P09874 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
TACR1 P25103 2/20 0.38
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL31228393 0.95 KLK7 (0.44) MAPTMEN1KMT2AKLK7L3MBTL1
SCHEMBL31228420 0.91 TACR1 (0.42) MAPTMEN1KMT2AKLK7L3MBTL1
SCHEMBL31228227 0.86 YAP1 (0.39) MAPTMEN1KMT2AKLK7L3MBTL1
SCHEMBL31228241 0.86 YAP1 (0.39) MAPTMEN1KMT2AKLK7L3MBTL1
SCHEMBL31228374 0.86 P2RX7 (0.42) MAPTMEN1KMT2AL3MBTL1MAPK1
SCHEMBL31153754 0.85 JAK2 (0.46) MAPTMEN1KMT2AL3MBTL1MAPK1
SCHEMBL31153839 0.85 JAK2 (0.46) MAPTMEN1KMT2AL3MBTL1MAPK1
SCHEMBL31228531 0.85 KLK7 (0.39) KMT2AKLK7L3MBTL1MAPK1GHSR
SCHEMBL31228414 0.83 KMT2A (0.32) KMT2ATACR1
SCHEMBL31228332 0.83 ACE2 (0.42) ALDH1A1

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