SCHEMBL8910093

SCHEMBL8910093

CC(=C1SCC(=O)N1N(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL8582463 0.74 CYP1A2 (0.48) ALDH1A1GAAMEN1KMT2AALOX5
SCHEMBL8992157 0.73 SMN1; SMN2 (0.36) LMNAALDH1A1GAATSHRSMN1; SMN2
SCHEMBL8992154 0.73 SMN1; SMN2 (0.36) LMNAALDH1A1GAATSHRSMN1; SMN2
SCHEMBL8933377 0.72 SMN1; SMN2 (0.37) LMNAALDH1A1GAATSHRSMN1; SMN2
SCHEMBL8933375 0.72 SMN1; SMN2 (0.37) LMNAALDH1A1GAATSHRSMN1; SMN2
SCHEMBL8580683 0.72 ALDH1A1 (0.40) LMNAALDH1A1GAATSHRSMN1; SMN2
SCHEMBL8580408 0.68 CYP1A2 (0.41) GAAALOX5PTGS1PTGS2
SCHEMBL8908613 0.68 PTGS2 (0.41) LMNAGAASMN1; SMN2NPSR1RECQL
SCHEMBL8991924 0.67 MEN1 (0.40) LMNAALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL8895686 0.67 MEN1 (0.40) LMNAALDH1A1GAASMN1; SMN2NPSR1

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-5691367-A ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1997-11-25 US disclosed