SCHEMBL8772018

SCHEMBL8772018

Cc1ccccc1SCC(C)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 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
SCHEMBL9228448 0.83 MAPT (0.35) MTNR1AMTNR1BALDH1A1L3MBTL1HTT
SCHEMBL8771898 0.78 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1L3MBTL1MAPT
SCHEMBL8772029 0.71 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1L3MBTL1HTT
SCHEMBL8415723 0.71 HTT (0.54) HTTSMN1; SMN2LMNATSHRCASP3
SCHEMBL5659347 0.70 ALDH1A1 (0.45) ALDH1A1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL5547987 0.70 ALDH1A1 (0.45) ALDH1A1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL7564627 0.68 HTT (0.47) HTTTSHRCASP3
SCHEMBL21676258 0.67 CTSK (0.38) HTTRAB9ASMN1; SMN2TSHRNPC1
SCHEMBL10170773 0.67 TAS1R3 (0.40) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL22267 0.67 TAS1R3 (0.40) ALDH1A1L3MBTL1HTTMEN1KMT2A

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
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed