SCHEMBL8500779

SCHEMBL8500779

C#CCCC(=O)NC[C@H](C)Cc1cccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 4/20 0.36
GAA P10253 3/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEP1B Q16820 1/20 0.34
RORC P51449 2/20 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
SCHEMBL5928160 0.87 KEAP1 (0.38) KEAP1NFE2L2HSD11B1ALDH1A1LMNA
SCHEMBL8075300 0.85 HSD11B1 (0.37) KEAP1NFE2L2HSD11B1ALDH1A1LMNA
SCHEMBL7956674 0.84 KEAP1 (0.40) KEAP1NFE2L2HSD11B1ALDH1A1LMNA
SCHEMBL7955245 0.83 KEAP1 (0.40) KEAP1NFE2L2HSD11B1ALDH1A1LMNA
SCHEMBL5689205 0.83 KEAP1 (0.40) KEAP1NFE2L2HSD11B1ALDH1A1LMNA
SCHEMBL5691126 0.82 KEAP1 (0.39) KEAP1NFE2L2HSD11B1ALDH1A1LMNA
SCHEMBL6695757 0.82 KEAP1 (0.34) KEAP1NFE2L2HSD11B1ALDH1A1LMNA
SCHEMBL7953042 0.82 KEAP1 (0.39) KEAP1NFE2L2HSD11B1ALDH1A1LMNA
SCHEMBL7959894 0.81 KEAP1 (0.38) KEAP1NFE2L2HSD11B1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5506705 0.81 KEAP1 (0.38) KEAP1NFE2L2HSD11B1ALDH1A1LMNA

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-5968970-A TREATMENT OF HIV G. D. SEARLE & COMPANY (US) 1999-10-19 US disclosed