SCHEMBL6110359

SCHEMBL6110359

CCCCOc1c(C(NC(=O)O)C(C)(C)C)n(CC(C)(C)C)c(=O)c2cc(C)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RORA P35398 2/20 0.34
RORC P51449 2/20 0.34
RORB Q92753 2/20 0.34
PGR P06401 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK8 P45983 1/20 0.32
PTGER4 P35408 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARG P37231 3/20 0.31
PPARA Q07869 2/20 0.31
GAA P10253 2/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL6108885 0.96 RORA (0.36) MEN1KMT2ARORARORCRORB
SCHEMBL6106201 0.93 SMN1; SMN2 (0.36) ALDH1A1ITGB1ITGA4MAPK1SMN1; SMN2
SCHEMBL6110589 0.92 RORA (0.33) MEN1KMT2ARORARORCRORB
SCHEMBL6107172 0.91 PGR (0.39) RORARORCRORBPGRALDH1A1
SCHEMBL6108005 0.91 PTGDR2 (0.36) PTGER4MAPK1SMN1; SMN2TSHRHSD17B10
SCHEMBL6107972 0.91 HTT (0.36) MEN1KMT2AALDH1A1ITGB1ITGA4
SCHEMBL6108036 0.91 CNR1 (0.39) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL6107738 0.89 RORA (0.38) RORARORCRORBPGRPPARG
SCHEMBL6109288 0.88 GAA (0.36) ALDH1A1ITGB1ITGA4SMN1; SMN2TSHR
SCHEMBL6107102 0.88 RORA (0.35) MEN1KMT2ARORARORCRORB

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-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed