SCHEMBL8169798

SCHEMBL8169798

CCc1cccc(CC)c1N(C(=O)COC)[C@@H](C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PLA2G1B P04054 1/20 0.46
HTT P42858 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
TP53 P04637 3/20 0.45
NLRP3 Q96P20 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
NR1I2 O75469 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.35
RORC P51449 1/20 0.35
THRB P10828 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
SCHEMBL8645454 0.86 MEN1 (0.42) MEN1KMT2ANPSR1PLA2G1BHTT
SCHEMBL8645450 0.86 MEN1 (0.42) MEN1KMT2ANPSR1PLA2G1BHTT
Metalaxyl SCHEMBL8817105 0.86 KMT2A (0.58) MEN1KMT2ANPSR1PLA2G1BHTT
Mefenoxam SCHEMBL22529 0.86 KMT2A (0.58) MEN1KMT2ANPSR1PLA2G1BHTT
Metalaxyl SCHEMBL5070290 0.86 KMT2A (0.58) MEN1KMT2ANPSR1PLA2G1BHTT
Metalaxyl SCHEMBL20990 0.86 KMT2A (0.58) MEN1KMT2ANPSR1PLA2G1BHTT
Metalaxyl SCHEMBL55820 0.86 KMT2A (0.58) MEN1KMT2ANPSR1PLA2G1BHTT
Metalaxyl SCHEMBL30058456 0.86 KMT2A (0.58) MEN1KMT2ANPSR1PLA2G1BHTT
Metalaxyl SCHEMBL8376541 0.86 KMT2A (0.58) MEN1KMT2ANPSR1PLA2G1BHTT
SCHEMBL9505890 0.85 KMT2A (0.42) MEN1KMT2ANPSR1PLA2G1BHTT

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-6130224-A Fungicidal agents and method BASF AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed