SCHEMBL31228332

SCHEMBL31228332

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.42
PREP P48147 7/20 0.41
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
FKBP1A P62942 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTRB1 P17538 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
SCHEMBL31228393 0.89 KLK7 (0.44) ACE2PREPALDH1A1FKBP1A
SCHEMBL31228368 0.83 MAPT (0.40) ALDH1A1
SCHEMBL31228420 0.79 TACR1 (0.42) ALDH1A1
SCHEMBL31228745 0.77 KLK7 (0.39) ACE2PREPALDH1A1
SCHEMBL31228607 0.77 ATM (0.31)
SCHEMBL31153839 0.73 JAK2 (0.46) ALDH1A1
SCHEMBL31153754 0.73 JAK2 (0.46) ALDH1A1
SCHEMBL31153873 0.73 PREP (0.52) ACE2PREPALDH1A1TSHRCTRB1
SCHEMBL23298100 0.73 MEN1 (0.41) ALDH1A1SIGMAR1CYP2C9CYP2C19
SCHEMBL23298099 0.73 MEN1 (0.41) ALDH1A1SIGMAR1CYP2C9CYP2C19

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