SCHEMBL7095246

SCHEMBL7095246

C=COC(=O)CC(C)=O.C=COC(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PAM P19021 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 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
Methyl Alcohol SCHEMBL4364856 0.89 TSHR (0.53) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL163579 0.88 ALDH1A1 (0.55) TSHRALDH1A1MAPK1L3MBTL1PAM
Methacrylic Acid SCHEMBL27605772 0.86 TSHR (0.47) TSHRALDH1A1MAPK1L3MBTL1PAM
Acrylic Acid Methyl Ester SCHEMBL27605769 0.83 TSHR (0.45) TSHRALDH1A1MAPK1L3MBTL1PAM
Styrene SCHEMBL2229871 0.81 ALDH1A1 (0.47) TSHRALDH1A1MAPK1L3MBTL1PAM
Benzoic Acid Vinyl Ester SCHEMBL4628868 0.80 TSHR (0.42) TSHRALDH1A1MAPK1L3MBTL1PAM
Benzoic Acid Vinyl Ester SCHEMBL8400814 0.79 KMT2A (0.46) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL19506916 0.79 CYP4F2 (0.42) TSHRALDH1A1MAPK1L3MBTL1PAM
Acetic Acid SCHEMBL27553962 0.79 MGAM (0.48) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL94026 0.79

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-1338416-A2 Method for making lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2003-08-27 EP disclosed