SCHEMBL9628228

SCHEMBL9628228

CCC(C)Oc1cc(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 3/20 0.41
SLC22A6 Q4U2R8 1/20 0.38
TOP1 P11387 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 3/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
DHODH Q02127 2/20 0.36
HPGD P15428 2/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36

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
SCHEMBL9627986 0.90 HTT (0.55) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL9627634 0.86 HTT (0.63) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL9713401 0.85 ABCB11 (0.51) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL7918996 0.82 HTT (0.75) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL9628598 0.80 HTT (0.63) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL9628221 0.80 HTT (0.58) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL23535401 0.79 HTT (0.57) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL9627465 0.78 HTT (0.69) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL9627873 0.78 HTT (0.60) HTTKDM4EHSD17B10MAPTTP53
SCHEMBL23271992 0.77 HTT (0.67) HTTKDM4EHSD17B10MAPTTP53

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 2 patents. 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
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed