SCHEMBL31228393

SCHEMBL31228393

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.44
ACE2 Q9BYF1 2/20 0.41
PREP P48147 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
PARP1 P09874 1/20 0.39
HCRTR2 O43614 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FKBP1A P62942 2/20 0.38
GHSR Q92847 1/20 0.38

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
SCHEMBL31228368 0.95 MAPT (0.40) KLK7MEN1KMT2AMAPTPARP1
SCHEMBL31228420 0.89 TACR1 (0.42) KLK7MEN1KMT2AMAPTPARP1
SCHEMBL31228332 0.89 ACE2 (0.42) ACE2PREPALDH1A1FKBP1A
SCHEMBL31228745 0.87 KLK7 (0.39) KLK7ACE2PREPMEN1KMT2A
SCHEMBL31228488 0.86 P2RX7 (0.41) KLK7ACE2MEN1KMT2AMAPT
SCHEMBL31228440 0.82 AGTR2 (0.40) KLK7MEN1KMT2AMAPTPARP1
SCHEMBL31153754 0.82 JAK2 (0.46) MEN1KMT2AMAPTPARP1L3MBTL1
SCHEMBL31153839 0.82 JAK2 (0.46) MEN1KMT2AMAPTPARP1L3MBTL1
SCHEMBL31228526 0.80 TACR1 (0.42) MEN1KMT2AMAPTPARP1L3MBTL1
SCHEMBL31153873 0.80 PREP (0.52) KLK7ACE2PREPMEN1KMT2A

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