SCHEMBL11279537

SCHEMBL11279537

CCC(C=C(Cl)Cl)C(C(=O)OC)(c1cccc(Oc2ccccc2)n1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.34
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
P2RX3 P56373 3/20 0.33
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33
MMP2 P08253 2/20 0.33
MMP13 P45452 2/20 0.33
MMP1 P03956 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADAMTS4 O75173 1/20 0.32
LOX P28300 3/20 0.32
LOXL2 Q9Y4K0 3/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL11282333 0.92 P2RX3 (0.39) FPR2SCN9AP2RX3
SCHEMBL11271872 0.92 SCN9A (0.36) PPARGFPR2SCN9AP2RX3
SCHEMBL11275939 0.92 FPR2 (0.35) FPR2SCN9AP2RX3MAPTADAMTS4
SCHEMBL11264169 0.87 CARM1 (0.35) L3MBTL1
SCHEMBL11277216 0.83 KDM4E (0.38) L3MBTL1NPSR1
SCHEMBL11282320 0.82 FPR2 (0.35) FPR2SCN9AP2RX3MAPTADAMTS4
SCHEMBL11273179 0.81 FPR2 (0.37) FPR2SCN9AL3MBTL1P2RX3MAPT
SCHEMBL11274647 0.81 ADAMTS4 (0.36) FPR2SCN9AL3MBTL1P2RX3MAPT
SCHEMBL11284587 0.80 P2RX3 (0.40) FPR2SCN9AP2RX3
SCHEMBL11279536 0.80 P2RX3 (0.39) FPR2SCN9AL3MBTL1P2RX3

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed