SCHEMBL9010890

SCHEMBL9010890

CCC(C)(NC(=O)c1cc(Cl)nc(Cl)c1)C(=O)C(Br)Br

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.34
BCHE P06276 3/20 0.34
ACHE P22303 3/20 0.34
ANO1 Q5XXA6 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
GRN P28799 2/20 0.32
SORT1 Q99523 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
S1PR2 O95136 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL8156479 0.86 GRN (0.45) GRNSORT1
SCHEMBL8167643 0.84 ALDH1A1 (0.33) ERAP1ANO1GRNSORT1HTT
SCHEMBL8060065 0.83 HSD11B1 (0.36) ERAP1ANO1HTTCYP2C19
SCHEMBL9010820 0.78 SMN1; SMN2 (0.33) HTTCYP2C19CNR2
SCHEMBL9010839 0.74 ALDH1A1 (0.36) ERAP1ANO1
SCHEMBL1591897 0.74 POLB (0.46) BCHEACHES1PR2
SCHEMBL7161750 0.74 ALDH1A1 (0.34) ERAP1ANO1GRNSORT1HTT
SCHEMBL7027760 0.74 ALDH1A1 (0.34) ERAP1ANO1GRNSORT1HTT
SCHEMBL8060000 0.74 HSD11B1 (0.36) ERAP1ANO1HTTL3MBTL1CA2
SCHEMBL8059015 0.73 HSD11B1 (0.37) ERAP1ANO1GRNSORT1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0170498-B1 N-ACETONYL-SUBSTITUTED-AMIDES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN COMBATING FUNGI ROHM AND HAAS COMPANY (US) 1991-09-11 EP claimed
EP-0170498-A2 N-acetonyl-substituted-amides, compositions containing them and their use in combating fungi ROHM AND HAAS COMPANY (US) 1986-02-05 EP claimed
US-5547984-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1996-08-20 US disclosed
US-5529978-A FUNGICIDE ROHM AND HAAS COMPANY (US) 1996-06-25 US disclosed
US-5196046-A N-acetonyl-substituted-amides ROHM AND HAAS COMPANY (US) 1993-03-23 US disclosed
EP-0170498-B1 N-ACETONYL-SUBSTITUTED-AMIDES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN COMBATING FUNGI ROHM AND HAAS COMPANY (US) 1991-09-11 EP disclosed
US-4863940-A N-acetonyl-substituted amides and phytopathogenic fungicidal use thereof ROHM AND HAAS (US) 1989-09-05 US disclosed
EP-0170498-A2 N-acetonyl-substituted-amides, compositions containing them and their use in combating fungi ROHM AND HAAS COMPANY (US) 1986-02-05 EP disclosed