SCHEMBL11520993

SCHEMBL11520993

COCC(=O)N(c1c(C)cc(C)cc1C)C(C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PLA2G1B P04054 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
NLRP3 Q96P20 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
THRB P10828 2/20 0.34
GRM5 P41594 1/20 0.34
ELANE P08246 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP7 P55210 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
SCHEMBL11517301 0.88 MEN1 (0.41) MEN1KMT2APLA2G1BHTTNPSR1
SCHEMBL11518264 0.88 NPSR1 (0.41) MEN1KMT2APLA2G1BHTTNPSR1
SCHEMBL28049223 0.87 TAS1R3 (0.40) MEN1KMT2APLA2G1BHTTNPSR1
SCHEMBL27997494 0.87 TAS1R3 (0.40) MEN1KMT2APLA2G1BHTTNPSR1
Mefenoxam SCHEMBL22529 0.87 KMT2A (0.58) MEN1KMT2APLA2G1BHTTNPSR1
Metalaxyl SCHEMBL8817105 0.87 KMT2A (0.58) MEN1KMT2APLA2G1BHTTNPSR1
Metalaxyl SCHEMBL30058456 0.87 KMT2A (0.58) MEN1KMT2APLA2G1BHTTNPSR1
Metalaxyl SCHEMBL55820 0.87 KMT2A (0.58) MEN1KMT2APLA2G1BHTTNPSR1
Metalaxyl SCHEMBL8376541 0.87 KMT2A (0.58) MEN1KMT2APLA2G1BHTTNPSR1
Metalaxyl SCHEMBL20990 0.87 KMT2A (0.58) MEN1KMT2APLA2G1BHTTNPSR1

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
US-4151299-A Certain aniline derivatives as microbicidal agents CIBA-GEIGY CORPORATION (US) 1979-04-24 US claimed