SCHEMBL14628671

SCHEMBL14628671

CCC(C)COC(=O)c1ccccc1C(=O)OCC(C)(C)CC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 2/20 0.48
CA2 P00918 1/20 0.48
MAPT P10636 1/20 0.48
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ADRB2 P07550 5/20 0.43
ADRB1 P08588 5/20 0.43
ADRB3 P13945 5/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL11517249 0.87 TSHR (0.60) TSHRALDH1A1CYP3A4CA2TDP1
SCHEMBL4452946 0.87 TSHR (0.70) TSHRALDH1A1CYP3A4CA2MAPT
SCHEMBL11513723 0.82 ALDH1A1 (0.80) TSHRALDH1A1CYP3A4CA2MAPT
SCHEMBL27891835 0.81 MAPT (0.62) TSHRALDH1A1CYP3A4CA2MAPT
SCHEMBL29254280 0.78 TSHR (0.57) TSHRALDH1A1CYP3A4CA2MAPT
SCHEMBL1552226 0.78 LMNA (0.63) TSHRALDH1A1CYP3A4CA2MAPT
SCHEMBL16344862 0.77 ALDH1A1 (0.62) TSHRALDH1A1CYP3A4CA2MAPT
SCHEMBL11023805 0.77 ALDH1A1 (0.66) TSHRALDH1A1CYP3A4CA2MAPT
SCHEMBL22844473 0.76 MAPT (0.39) ALDH1A1MAPT
SCHEMBL28118089 0.74 ALDH1A1 (0.57) TSHRALDH1A1CYP3A4CA2MAPT

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
EP-1024402-B1 Silver halide photographic light-sensitive material and image forming method FUJI PHOTO FILM CO LTD (JP) 2007-01-24 EP disclosed