SCHEMBL6106201

SCHEMBL6106201

CCCCOc1ccc2c(OCCCC)c(C(NC(=O)O)C(C)(C)C)n(CC(C)(C)C)c(=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
DPP4 P27487 2/20 0.33
POLB P06746 1/20 0.33
PLA2G2A P14555 1/20 0.33
HTT P42858 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6107972 0.98 HTT (0.36) SMN1; SMN2MAPK1PPARGPPARATSHR
SCHEMBL6108036 0.96 CNR1 (0.39) SMN1; SMN2MAPK1PPARGPPARATSHR
SCHEMBL6107172 0.94 PGR (0.39) TSHRHSD17B10PLA2G2AKDM4EALDH1A1
SCHEMBL6107384 0.94 HTT (0.36) SMN1; SMN2MAPK1PPARGPPARATSHR
SCHEMBL6110359 0.93 MEN1 (0.34) SMN1; SMN2MAPK1PPARGPPARATSHR
SCHEMBL6109262 0.92 MMP2 (0.39) SMN1; SMN2PPARGPPARAPLA2G2AALDH1A1
SCHEMBL6107351 0.92 CNR1 (0.36) SMN1; SMN2PPARGPPARATSHRHSD17B10
SCHEMBL6110589 0.92 RORA (0.33) SMN1; SMN2MAPK1PPARGPPARATSHR
SCHEMBL6108005 0.91 PTGDR2 (0.36) SMN1; SMN2MAPK1TSHRHSD17B10CNR1
SCHEMBL6109866 0.91 PGR (0.39) TSHRHSD17B10DPP4PLA2G2AKDM4E

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