SCHEMBL11308643

SCHEMBL11308643

CC(=O)OCc1cc(Cc2ccc(OC(C)=O)c(COC(C)=O)c2)ccc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.58
AKT1 P31749 1/20 0.52
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.42
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALOX15 P16050 1/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
ADRB2 P07550 1/20 0.38

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
SCHEMBL30786725 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EGAATSHRRAB9A
SCHEMBL11110793 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EGAATSHRRAB9A
SCHEMBL30786724 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EGAATSHRRAB9A
SCHEMBL4842042 0.83 CYP3A4 (0.47) CFDAKT1CYP3A4ALDH1A1KDM4E
SCHEMBL1901977 0.81 ALDH1A1 (0.45) CFDAKT1ALDH1A1CYP4F2CYP4A11
SCHEMBL3987965 0.81 CFD (0.46) CFDAKT1CYP3A4ALDH1A1PTGS1
SCHEMBL10908806 0.79 ALDH1A1 (0.50) CYP3A4ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL178979 0.79 CFD (0.69) CFDAKT1ALDH1A1CYP4F2CYP4A11
SCHEMBL11107426 0.79 ALDH1A1 (0.43) CFDAKT1ALDH1A1ALOX5KDM4E
SCHEMBL11324429 0.78 ALDH1A1 (0.39) CFDAKT1CYP3A4ALDH1A1ALOX5

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-4248976-A COMPRISING A PHOSPHORUS COMPOUND AND AN AROMATIC COMPOUND CIBA-GEIGY AG (CH) 1981-02-03 US disclosed