SCHEMBL23927098

SCHEMBL23927098

CC(C)(C)OC(=O)N(OCc1ccccc1)[C@@H]1CC[C@@](C(=O)Nc2cccc3cccnc23)(C(C)(C)C)N(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
HDAC1 Q13547 6/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC4 P56524 3/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PKLR P30613 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
LMNA P02545 1/20 0.34
KDR P35968 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
P2RX7 Q99572 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL19990855 0.81 UBE2M (0.42) UBE2MDCUN1D1HDAC1HDAC6HDAC4
SCHEMBL20009190 0.79 POLB (0.43) UBE2MDCUN1D1HDAC1HDAC6HDAC4
SCHEMBL19990942 0.75 UBE2M (0.40) UBE2MDCUN1D1HDAC1HDAC6HDAC4
SCHEMBL17956429 0.74 PKLR (0.35) UBE2MDCUN1D1PKLRGAATSHR
SCHEMBL19990701 0.74 UBE2M (0.39) UBE2MDCUN1D1HDAC1HDAC6HDAC4
SCHEMBL20009193 0.73 UBE2M (0.38) UBE2MDCUN1D1HDAC1HDAC6HDAC4
SCHEMBL20009191 0.72 UBE2M (0.37) UBE2MDCUN1D1HDAC1HDAC6HDAC4
SCHEMBL19990700 0.72 UBE2M (0.39) UBE2MDCUN1D1HDAC1HDAC6HDAC4
SCHEMBL17956463 0.72 POLB (0.35) UBE2MDCUN1D1PKLRMEN1KMT2A
SCHEMBL20009194 0.70 UBE2M (0.37) UBE2MDCUN1D1HDAC1HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3698796-B1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS NOVARTIS AG (CH) 2021-10-27 EP disclosed