SCHEMBL21557930

SCHEMBL21557930

CC(C)C1CCC(=O)N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.33
PIK3CD O00329 2/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
CRBN Q96SW2 1/20 0.31
SRD5A1 P18405 3/20 0.30
KDM4E B2RXH2 2/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
THPO P40225 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DPP4 P27487 2/20 0.30
CYP19A1 P11511 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
SCHEMBL9908380 0.78 TSHR (0.41) TSHRKMT2AKDM4EMAPK1CYP19A1
SCHEMBL21962885 0.78 TSHR (0.41) TSHRKMT2AKDM4EMAPK1CYP19A1
SCHEMBL12381788 0.78 SMN1; SMN2 (0.36) TLR4PIK3CD
SCHEMBL8222968 0.78 DPP4 (0.33) TLR4PIK3CDTSHRCYP3A4DPP4
SCHEMBL25762082 0.78 ACE (0.32) TLR4PIK3CD
SCHEMBL12856142 0.73 PIK3CD (0.43) TLR4PIK3CD
SCHEMBL9251987 0.71 MAPK1 (0.37) TLR4PIK3CDBRD4BRD2MAPK1
SCHEMBL18821187 0.71 MAPK1 (0.37) TLR4PIK3CDBRD4BRD2MAPK1
SCHEMBL18883353 0.71 MAPK1 (0.37) TLR4PIK3CDBRD4BRD2MAPK1
SCHEMBL8556280 0.71 PIK3CD (0.35) PIK3CDBRD4BRD2TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235880-A1 CD38 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2023-12-07 WO disclosed
EP-3566750-A2 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS ImmunoGen, Inc. (US) 2019-11-13 EP disclosed