SCHEMBL18923355

SCHEMBL18923355

CCCC[C@H](C)C(=O)OCCN1C(=O)CCC(N2C(=O)c3cccc(C)c3C2=O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 11/20 0.43
CRBN Q96SW2 11/20 0.43
TMEM97 Q5BJF2 2/20 0.35
HTR2A P28223 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TNF P01375 1/20 0.33
IL1B P01584 1/20 0.33
TBXA2R P21731 1/20 0.33
IKZF1 Q13422 1/20 0.33
IKZF3 Q9UKT9 1/20 0.33
ACE P12821 1/20 0.33
HTR2B P41595 1/20 0.33
STAT3 P40763 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PABPC1 P11940 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL19889409 0.85 DDB1 (0.43) DDB1CRBNMAP1LC3BTNFIL1B
SCHEMBL20609671 0.83 DDB1 (0.50) DDB1CRBNMAP1LC3BMEN1KMT2A
SCHEMBL19889425 0.81 DDB1 (0.53) DDB1CRBNTMEM97TNFIL1B
SCHEMBL14294751 0.81 DDB1 (0.45) DDB1CRBNTMEM97HTR2ASIGMAR1
SCHEMBL14294754 0.79 DDB1 (0.44) DDB1CRBNTMEM97HTR2ASIGMAR1
SCHEMBL14294758 0.79 DDB1 (0.45) DDB1CRBNMAP1LC3BMEN1KMT2A
SCHEMBL19889406 0.79 DDB1 (0.42) DDB1CRBNTMEM97HTR2ASIGMAR1
SCHEMBL14294755 0.79 DDB1 (0.42) DDB1CRBNTMEM97HTR2ASIGMAR1
SCHEMBL14294764 0.79 DDB1 (0.42) DDB1CRBNTMEM97HTR2ASIGMAR1
SCHEMBL14294737 0.79 DDB1 (0.42) DDB1CRBNTMEM97HTR2ASIGMAR1

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
US-9669015-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2017-06-06 US disclosed