SCHEMBL11623239

SCHEMBL11623239

CCSOC(=O)C(C)Oc1ccc(-c2ncc(Cl)cc2Cl)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 3/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL732544 0.87 L3MBTL1 (0.46) SMN1; SMN2L3MBTL1ALDH1A1GAAMEN1
SCHEMBL11601818 0.86 L3MBTL1 (0.39) SMN1; SMN2L3MBTL1ALDH1A1GAAMEN1
SCHEMBL11623656 0.86 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1ALDH1A1GAAMEN1
SCHEMBL10760195 0.85 ALDH1A1 (0.40) SMN1; SMN2L3MBTL1ALDH1A1GAAMEN1
SCHEMBL9763694 0.84 TSHR (0.47) SMN1; SMN2L3MBTL1ALDH1A1GAAKMT2A
SCHEMBL6732935 0.84 TSHR (0.47) SMN1; SMN2L3MBTL1ALDH1A1GAAKMT2A
SCHEMBL10510541 0.84 ALDH1A1 (0.38) SMN1; SMN2L3MBTL1ALDH1A1GAAMEN1
SCHEMBL6907325 0.84 L3MBTL1 (0.48) SMN1; SMN2L3MBTL1ALDH1A1GAAMEN1
SCHEMBL10515743 0.83 L3MBTL1 (0.40) SMN1; SMN2L3MBTL1ALDH1A1GAAMEN1
SCHEMBL8511664 0.83 L3MBTL1 (0.40) SMN1; SMN2L3MBTL1ALDH1A1GAAMEN1

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-4115102-A PYRIDYLOXYPHENOXYALKANE CARBOXYLIC ACIDS ISHIHARA SANGYO KAISHA, LTD. (JP) 1978-09-19 US claimed