SCHEMBL31228509

SCHEMBL31228509

COC(=O)[C@H]([C@@H](C)C1CC1)N(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.31
ADAM17 P78536 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN1 P18031 1/20 0.30
EPHX1 P07099 1/20 0.30
TACR1 P25103 2/20 0.30
HCRTR2 O43614 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
SCHEMBL31228189 1.00 MMP3 (0.31) MMP3ADAM17KMT2APTPN1EPHX1
SCHEMBL31228362 1.00 MMP3 (0.31) MMP3ADAM17KMT2APTPN1EPHX1
SCHEMBL31228414 0.91 KMT2A (0.32) MMP3ADAM17KMT2ATACR1
SCHEMBL31228376 0.83 MMP13 (0.38) MMP3KMT2AHCRTR2
SCHEMBL31228461 0.78 ALDH1A1 (0.30) KMT2A
SCHEMBL31228607 0.76 ATM (0.31) KMT2A
SCHEMBL31228409 0.75
SCHEMBL31153653 0.75 NR1H2 (0.30)
SCHEMBL31228575 0.74 MEN1 (0.33) KMT2A
SCHEMBL31228349 0.73 CA14 (0.39)

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