SCHEMBL31228337

SCHEMBL31228337

CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@H]1COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.46
STS P08842 1/20 0.42
HCRTR2 O43614 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
PARP1 P09874 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
DPP4 P27487 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL31228493 1.00 KLK7 (0.46) KLK7STSHCRTR2GPR119PARP1
SCHEMBL31228495 1.00 KLK7 (0.46) KLK7STSHCRTR2GPR119PARP1
SCHEMBL31228447 0.92 KLK7 (0.48) KLK7STSHCRTR2GPR119PARP1
SCHEMBL31228705 0.92 KLK7 (0.48) KLK7STSHCRTR2GPR119PARP1
SCHEMBL7301938 0.87 KLK7 (0.47) KLK7STSHCRTR2GPR119PARP1
SCHEMBL31228339 0.85 KLK7 (0.46) KLK7STSHCRTR2GPR119PARP1
SCHEMBL31153726 0.84 KLK7 (0.46) KLK7STSHCRTR2GPR119PARP1
SCHEMBL7921496 0.83 KLK7 (0.47) KLK7STSGPR119PARP1JAK2
SCHEMBL7921498 0.83 KLK7 (0.47) KLK7STSGPR119PARP1JAK2
SCHEMBL27782500 0.82 SMN1; SMN2 (0.46) KLK7STSGPR119PARP1JAK2

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