SCHEMBL27684657

SCHEMBL27684657

NC(O)CC(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
SLC1A3 P43003 1/20 0.44
ELANE P08246 1/20 0.42
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
ALOX15 P16050 2/20 0.39
ANPEP P15144 1/20 0.39
LAP3 P28838 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL27833901 0.84 CYP19A1 (0.49) CYP19A1PRSS1PRSS2PRSS3SLC1A3
SCHEMBL7782888 0.83 ALPI (0.48) CYP19A1PRSS1PRSS2PRSS3SLC1A3
SCHEMBL27502115 0.83 SLC1A3 (0.46) CYP19A1PRSS1PRSS2PRSS3SLC1A3
SCHEMBL9048057 0.81 SCN4A (0.50) CYP19A1PRSS1PRSS2PRSS3SLC1A3
SCHEMBL8421334 0.81 PRSS1 (0.45) CYP19A1PRSS1PRSS2PRSS3SLC1A3
SCHEMBL4654692 0.81 GABRR1 (0.50) CYP19A1PRSS1PRSS2PRSS3SLC1A3
SCHEMBL7709512 0.81 ATM (0.44) CYP19A1PRSS1PRSS2PRSS3SLC1A3
SCHEMBL1870721 0.81 LMNA (0.50) CYP19A1ELANEATML3MBTL1ALDH1A1
SCHEMBL13727892 0.80 CYP19A1 (0.42) CYP19A1PRSS1PRSS2PRSS3SLC1A3
SCHEMBL9244141 0.79 ATM (0.45) CYP19A1PRSS1PRSS2PRSS3ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101536654-B Methods of reducing nematode damage SYNGENTA PARTICIPATIONS AG 2011-02-09 CN disclosed
CN-101536654-A Methods of reducing nematode damage SYNGENTA PARTICIPATIONS AG 2009-09-23 CN disclosed
CN-100496246-C Methods of reducing nematode damage SYNGENTA PARTICIPATIONS AG (CH) 2009-06-10 CN disclosed
CN-1964628-A Methods of reducing nematode damage SYNGENTA PARTICIPATIONS AG (CH) 2007-05-16 CN disclosed