SCHEMBL8771750

SCHEMBL8771750

CC(C)[C@@H](C(N)=O)N(C(=O)Oc1ccccc1)C(C)COc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
KIF11 P52732 1/20 0.35
LMNA P02545 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
GRIN2B Q13224 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
ALOX5 P09917 1/20 0.34
EPHX2 P34913 1/20 0.34
MAOB P27338 1/20 0.34
AOC3 Q16853 1/20 0.34
FFAR1 O14842 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
SCHEMBL8771829 0.90 PSMB5 (0.40) ALDH1A1KIF11MAOB
SCHEMBL8771901 0.84 MMP2 (0.45) ALDH1A1MTNR1AMTNR1BLMNAALOX5
SCHEMBL8771767 0.77 MMP2 (0.44) ALDH1A1MAOB
SCHEMBL8772026 0.77 MTNR1A (0.40) ALDH1A1MTNR1AMTNR1BLMNAMAOB
SCHEMBL8771818 0.76 LIPE (0.47) LMNA
SCHEMBL8771861 0.74 MMP2 (0.43) ALDH1A1MTNR1AMTNR1BALOX5MAOB
SCHEMBL8771846 0.74 MMP2 (0.41) TRPM8ALDH1A1MTNR1AMTNR1BMAOB
SCHEMBL8771937 0.72 TDP1 (0.38) EPHX1ALDH1A1GPR88FFAR1
SCHEMBL8771794 0.71 MMP2 (0.43) ALDH1A1LMNAMAOB
SCHEMBL8771940 0.70 MMP2 (0.43) ALDH1A1MTNR1AMTNR1BGPR88ALOX5

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