SCHEMBL8771818

SCHEMBL8771818

CC(C)[C@@H](C(N)=O)N(C(=O)Oc1ccccc1)C(C)COc1ccc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.47
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
RAB9A P51151 1/20 0.35
SCN9A Q15858 3/20 0.34
FPR2 P25090 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LTA4H P09960 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 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
SCHEMBL8771835 0.85 SCN9A (0.34) LIPECNR1CNR2SCN9AFPR2
SCHEMBL8771901 0.76 MMP2 (0.45) LMNA
SCHEMBL8771829 0.76 PSMB5 (0.40) LIPESCN9APPARGPPARA
SCHEMBL8771750 0.76 EPHX1 (0.44) LMNA
SCHEMBL8772026 0.75 MTNR1A (0.40) RAB9ALMNAL3MBTL1HTT
SCHEMBL8771828 0.69 CCR1 (0.45) LIPECNR1CNR2RAB9A
SCHEMBL8771937 0.68 TDP1 (0.38) RAB9ASCN9AL3MBTL1
SCHEMBL8896909 0.68 ALOX5 (0.54) L3MBTL1
SCHEMBL9225370 0.68 LIPE (0.40) LIPECNR1CNR2RAB9ALMNA
SCHEMBL8074911 0.68 PPARA (0.43) PPARA

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