SCHEMBL9511045

SCHEMBL9511045

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
SLC1A2 P43004 2/20 0.46
BTK Q06187 1/20 0.38
ARG1 P05089 2/20 0.36
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.31
DPP4 P27487 1/20 0.30
SLC1A1 P43005 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
SCHEMBL5746785 1.00 MEN1 (0.61) MEN1BLMKMT2ASLC1A2BTK
SCHEMBL27190337 1.00 MEN1 (0.61) MEN1BLMKMT2ASLC1A2BTK
SCHEMBL2177343 0.87 MEN1 (0.61) MEN1BLMKMT2ASLC1A2BTK
SCHEMBL17756096 0.87 MEN1 (0.61) MEN1BLMKMT2ASLC1A2BTK
SCHEMBL11931404 0.86 MEN1 (0.42) MEN1BLMKMT2ABTKRECQL
SCHEMBL28060859 0.81 MEN1 (0.67) MEN1BLMKMT2ASLC1A2ARG1
SCHEMBL7619070 0.77 SLC1A2 (0.42) MEN1BLMKMT2ASLC1A2BTK
SCHEMBL17756064 0.77 SLC1A2 (0.58) MEN1BLMKMT2ASLC1A2BTK
SCHEMBL3427826 0.77 SLC1A2 (0.58) MEN1BLMKMT2ASLC1A2BTK
SCHEMBL730491 0.77 MEN1 (1.00) MEN1BLMKMT2ASLC1A2ARG1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043316-A Factor XIIa inhibitors 卢纳克治疗有限公司 2024-05-14 CN disclosed
EP-4347578-A1 FACTOR XIIA INHIBITORS Lunac Therpeutics Ltd (GB) 2024-04-10 EP disclosed
WO-2022248883-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2022-12-01 WO disclosed
EP-0557375-A1 NEW HETEROCYCLIC COMPOUNDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS, PROCESSES FOR THEIR PREPARATION AND THEIR USE Astra Aktiebolag (SE) 1993-09-01 EP disclosed
WO-1992008724-A1 NEW HETEROCYCLIC COMPOUNDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AKTIEBOLAGET ASTRA (SE) 1992-05-29 WO disclosed