SCHEMBL8771976

SCHEMBL8771976

C[C@@H](N)C(=O)N(CCSc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ELANE P08246 1/20 0.34
SLC6A4 P31645 1/20 0.34
MAPK1 P28482 1/20 0.33
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 0.33
IDO1 P14902 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
SCHEMBL8771961 0.91 FDPS (0.36) FDPSMAOAMAOBL3MBTL1MTNR1A
SCHEMBL8771876 0.81 KDM4E (0.41) FDPSL3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL10627360 0.73 L3MBTL1 (0.32) MAOAL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL2945959 0.73 MTNR1A (0.44) MAOAMAOBL3MBTL1MTNR1AMTNR1B
SCHEMBL28195146 0.72 MEN1 (0.33)
SCHEMBL28195145 0.72 MEN1 (0.33)
SCHEMBL26830762 0.72 ALDH1A1 (0.45) FDPSL3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL10424675 0.72 L3MBTL1 (0.40) L3MBTL1
SCHEMBL8877779 0.71 KIF11 (0.38) CYP3A4CYP2D6ALDH1A1SLC6A4
SCHEMBL24483689 0.71 ALDH1A1 (0.39) FDPSL3MBTL1MTNR1AMTNR1BCYP1A2

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed