SCHEMBL11213091

SCHEMBL11213091

Cc1cccc(C)c1N(C(=O)Cc1ccccc1)C(C)C(=O)OCI

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PLA2G1B P04054 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
RORC P51449 1/20 0.42
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX5 P09917 3/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL11108635 0.91 RORC (0.50) MEN1KMT2APLA2G1BHTTNPSR1
SCHEMBL8415552 0.91 RORC (0.50) MEN1KMT2APLA2G1BHTTNPSR1
Benalaxyl SCHEMBL41642 0.87 KMT2A (0.61) MEN1KMT2APLA2G1BHTTNPSR1
Benalaxyl SCHEMBL54808 0.87 KMT2A (0.61) MEN1KMT2APLA2G1BHTTNPSR1
Benalaxyl SCHEMBL8818251 0.87 KMT2A (0.61) MEN1KMT2APLA2G1BHTTNPSR1
Benalaxyl SCHEMBL2528870 0.87 KMT2A (0.61) MEN1KMT2APLA2G1BHTTNPSR1
Benalaxyl SCHEMBL21674 0.87 KMT2A (0.61) MEN1KMT2APLA2G1BHTTNPSR1
Benalaxyl SCHEMBL7182610 0.86 KMT2A (0.60) MEN1KMT2APLA2G1BHTTNPSR1
Benalaxyl SCHEMBL27822944 0.86 KMT2A (0.60) MEN1KMT2APLA2G1BHTTNPSR1
SCHEMBL6206675 0.84 TRPM8 (0.52) 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
EP-0038570-B1 FUNGICIDAL COMPOSITIONS Montedison S.p.A. (IT) 1983-09-28 EP claimed