SCHEMBL25827793

SCHEMBL25827793

CCCCCCN(C(=O)C[C@@H](C)CC)[C@H](C[C@@H](OCC)c1nc(C(=O)OCC)cs1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.38
PLA2G4A P47712 1/20 0.36
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CTSK P43235 1/20 0.32
PTPRB P23467 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CA12 O43570 3/20 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
SCHEMBL25836077 0.90 ABCB1 (0.39) ABCB1PLA2G4ARAB9ANPC1MAPT
SCHEMBL25825751 0.89 ABCB1 (0.32) ABCB1
SCHEMBL27124306 0.86 ABCB1 (0.37) ABCB1PLA2G4ARAB9ANPC1MAPT
SCHEMBL30360082 0.85 ABCB1 (0.47) ABCB1PLA2G4ARAB9ANPC1MAPT
SCHEMBL25832393 0.83 ABCB1 (0.37) ABCB1PLA2G4ARAB9ANPC1MAPT
SCHEMBL25826798 0.83 ABCB1 (0.34) ABCB1PLA2G4ARAB9ANPC1MAPT
SCHEMBL25829813 0.83 PLA2G4A (0.36) PLA2G4A
SCHEMBL25828331 0.81
SCHEMBL25828774 0.80 ABCB1 (0.34) ABCB1PLA2G4ARAB9ANPC1MAPT
SCHEMBL18542798 0.80 PTPRB (0.30) PTPRB

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
WO-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 WO disclosed