SCHEMBL4174338

SCHEMBL4174338

C=CC(OC(C)=O)c1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
PTGS1 P23219 1/20 0.43
TOP1 P11387 2/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
CCR3 P51677 1/20 0.38
CFD P00746 2/20 0.37
NR3C1 P04150 1/20 0.36
GAPDH P04406 1/20 0.36
ALOX5 P09917 1/20 0.36
TNFSF11 O14788 1/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
HIF1A Q16665 1/20 0.35
VCP P55072 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL1278027 0.93 PTGS1 (0.53) TSHRALDH1A1RAB9APTGS1JUN
SCHEMBL30140773 0.93 PTGS1 (0.53) TSHRALDH1A1RAB9APTGS1JUN
SCHEMBL17371451 0.85 CCR3 (0.51) TSHRALDH1A1GAAPTGS1CCR3
1'-Acetoxychavicol Acetate SCHEMBL3673490 0.80 LMNA (0.47) TSHRALDH1A1KDM4EGAALMNA
1'-Acetoxychavicol Acetate SCHEMBL17454871 0.80 LMNA (0.47) TSHRALDH1A1KDM4EGAALMNA
SCHEMBL9226980 0.79 ALDH1A1 (0.51) TSHRALDH1A1KDM4EGAARAB9A
SCHEMBL5614021 0.78 TSHR (0.50) TSHRALDH1A1KDM4EGAARAB9A
SCHEMBL8231214 0.77 KDM4E (0.56) TSHRALDH1A1KDM4EGAARAB9A
SCHEMBL7649073 0.76 UGT2B7 (0.45) TSHRALDH1A1KDM4ECYP3A4HIF1A
SCHEMBL3936561 0.75 TSHR (0.55) TSHRALDH1A1KDM4EGAARAB9A

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
JP-2009079004-A COLLAGEN PRODUCTION PROMOTER OSAKA INDUSTRIAL PROMOTION ORGANIZATION 2009-04-16 JP disclosed