SCHEMBL9568704

SCHEMBL9568704

C=CC(=O)Oc1ccccc1S(=O)(=O)NCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
THRB P10828 3/20 0.53
THRA P10827 1/20 0.53
RECQL P46063 1/20 0.47
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.40
FABP4 P15090 1/20 0.40

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
SCHEMBL9568753 0.92 CA12 (0.53) CA12CA9THRBTHRARECQL
SCHEMBL9568582 0.87 THRB (0.48) CA12CA9THRBTHRAALDH1A1
SCHEMBL3242542 0.84 CA12 (0.56) CA12CA9RECQLALDH1A1CYP1A2
SCHEMBL9568803 0.80 THRB (0.45) THRBTHRACYP1A2KDM4EHPGD
SCHEMBL4617734 0.78 ALDH1A1 (0.63) CA12CA9RECQLALDH1A1CYP1A2
SCHEMBL9568766 0.78 THRB (0.55) THRBALDH1A1CYP2C19TSHRMEN1
Acrylic Acid Methyl Ester SCHEMBL27860062 0.77 ALDH1A1 (0.59) CA12CA9ALDH1A1KDM4ETSHR
SCHEMBL9568524 0.77 ALDH1A1 (0.52) CA12CA9THRBALDH1A1TSHR
SCHEMBL9568742 0.76 CASP1 (0.43) THRBTHRAKDM4E
SCHEMBL9568581 0.76 CA12 (0.56) CA12CA9THRBTHRARECQL

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-0544264-A1 Light-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1993-06-02 EP disclosed