SCHEMBL31310079

SCHEMBL31310079

CC(C)(C)OC(=O)N1CC2(CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1.CC(C)(C)OC(=O)N1CC2(CNC2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
CASP1 P29466 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.37
PARP1 P09874 1/20 0.37
IDO1 P14902 3/20 0.37
EGLN2 Q96KS0 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PDK2 Q15119 1/20 0.36
CYP11B2 P19099 1/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL31210310 0.83 BACE1 (0.51) BACE1MAPK1IDO1KMT2AKDM4E
SCHEMBL18926981 0.83 BACE1 (0.51) BACE1MAPK1IDO1KMT2AKDM4E
SCHEMBL26092335 0.81 BACE1 (0.41) BACE1CASP1MAPK1TSHRPARP1
SCHEMBL30485090 0.81 BACE1 (0.41) BACE1CASP1MAPK1TSHRPARP1
SCHEMBL27262236 0.80 BACE1 (0.41) BACE1CASP1IDO1FABP7FABP5
SCHEMBL31695056 0.78 USP30 (0.44) BACE1CASP1MAPK1TSHRIDO1
SCHEMBL26091468 0.78 TSHR (0.40) BACE1CASP1MAPK1TSHRPARP1
SCHEMBL30485035 0.78 TSHR (0.40) BACE1CASP1MAPK1TSHRPARP1
SCHEMBL30755467 0.78 CASP1 (0.41) BACE1CASP1IDO1KMT2AKDM4E
SCHEMBL9281160 0.77 BACE1 (0.46) BACE1CASP1KMT2AKDM4EDPP8

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-2025032254-A1 ANTHRACYCLINE DERIVATIVES AND CONJUGATES AND USES THEREOF ASTRAZENECA AB (SE) 2025-02-13 WO disclosed