SCHEMBL9627680

SCHEMBL9627680

CCCOc1cc(C)c(OC(=O)CC)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
ACHE P22303 2/20 0.39
S1PR5 Q9H228 2/20 0.38
KMT2A Q03164 2/20 0.37
PAX8 Q06710 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL17688826 0.87 HTT (0.65) HTTKDM4EMAPTGAAHSD17B10
SCHEMBL17688827 0.87 HTT (0.65) HTTKDM4EMAPTGAAHSD17B10
SCHEMBL9659842 0.85 CNR1 (0.42) HTTKDM4EMAPTHSD17B10CNR1
SCHEMBL9628152 0.85 CNR2 (0.42) HTTMAPTTP53CNR1CNR2
SCHEMBL9713960 0.85 CNR1 (0.44) HTTKDM4EMAPTHSD17B10CNR1
SCHEMBL23271981 0.82 HTT (0.45) HTTKDM4EMAPTGAATP53
SCHEMBL9641928 0.81 ELANE (0.41) KDM4EMAPTTP53CNR1CNR2
SCHEMBL29370469 0.80 HTT (0.63) HTTKDM4EMAPTGAAHSD17B10
SCHEMBL515297 0.80 HTT (0.63) HTTKDM4EMAPTGAAHSD17B10
SCHEMBL17696404 0.79 MAPT (0.69) HTTKDM4EMAPTGAAHSD17B10

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-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed