SCHEMBL9709595

SCHEMBL9709595

C=CCOC(=O)CCCC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
EPHX2 P34913 2/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DGKA P23743 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12092181 0.85 TSHR (0.46) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL21738508 0.85 TSHR (0.46) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL463195 0.84 TSHR (0.70) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL12537385 0.81 SMN1; SMN2 (0.47) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL153651 0.80 TSHR (0.77) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL1639757 0.80 TSHR (0.50) TSHRGAATDP1EPHX2HDAC3
SCHEMBL29165358 0.80 TSHR (0.61) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL11131919 0.79 TSHR (0.65) TSHRALDH1A1GAASMN1; SMN2TDP1
SCHEMBL637189 0.79 ALDH1A1 (0.53) TSHRALDH1A1SMN1; SMN2EPHX2LMNA
SCHEMBL28252870 0.79 TSHR (0.65) TSHRALDH1A1GAASMN1; SMN2TDP1

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-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed