SCHEMBL9550368

SCHEMBL9550368

COC(=O)C(C)(NC(=O)C(C)Oc1ccc(Cl)c(C)c1Cl)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.34
TRPM4 Q8TD43 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL9403723 0.83 SMN1; SMN2 (0.40) SMN1; SMN2LMNATSHRHPGDMAPK1
SCHEMBL10614819 0.76 ALDH1A1 (0.47) SMN1; SMN2LMNATSHRHPGDMAPK1
SCHEMBL9404734 0.75 SMN1; SMN2 (0.35) SMN1; SMN2LMNATSHRHPGDMAPK1
SCHEMBL7266571 0.74 SMN1; SMN2 (0.41) SMN1; SMN2LMNATSHRHPGDMAPK1
SCHEMBL10615826 0.73 TSHR (0.58) SMN1; SMN2TSHRHPGDALDH1A1KDM4E
SCHEMBL14006497 0.73 TSHR (0.43) SMN1; SMN2LMNATSHRHPGDMAPK1
SCHEMBL11084751 0.73 TSHR (0.43) SMN1; SMN2LMNATSHRHPGDMAPK1
SCHEMBL11079681 0.73 ALDH1A1 (0.62) SMN1; SMN2LMNATSHRHPGDMAPK1
SCHEMBL55118 0.73 KDM4E (0.52) LMNATSHRHPGDMAPK1ALDH1A1
SCHEMBL11082625 0.73 ALDH1A1 (0.55) LMNATSHRHPGDMAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194344-A None JP disclosed
JP-H05194344-A SUBSTITUTED PHENOXYCARBOXYLIC ACID AMIDE DERIVATIVE AND FUNGICIDE FOR AGRICULTURE CONTAINING MITSUBISHI PETROCHEM CO LTD 1993-08-03 JP disclosed