SCHEMBL5616367

SCHEMBL5616367

O=C(O)Oc1cc(-c2ccccc2)n(-c2ccccc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.53
FABP4 P15090 1/20 0.53
MARS1 P56192 2/20 0.50
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SLC16A3 O15427 7/20 0.46
SLC16A1 P53985 6/20 0.45
RPA1 P27694 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXRA P19793 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
SMPD1 P17405 1/20 0.43
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42

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
SCHEMBL9827072 0.90 FABP3 (0.52) FABP3FABP4MARS1ALDH1A1MAPT
SCHEMBL27629217 0.89 FABP3 (0.51) FABP3FABP4MARS1ALDH1A1MAPT
SCHEMBL6053365 0.88 MARS1 (0.66) MARS1MAPTHTTSLC16A3SLC16A1
SCHEMBL163226 0.88 FABP3 (0.50) FABP3FABP4MARS1ALDH1A1MAPT
SCHEMBL6053461 0.83 RPA1 (0.56) MARS1MAPTHTTRPA1LMNA
SCHEMBL859280 0.82 RPA1 (0.60) FABP3FABP4ALDH1A1HTTRPA1
SCHEMBL7156590 0.82 MALT1 (0.58) FABP3FABP4SLC16A3SLC16A1RPA1
SCHEMBL1110857 0.81 PPP1CA (0.57) FABP3FABP4MARS1ALDH1A1SLC16A3
SCHEMBL1831165 0.80 MARS1 (0.74) MARS1ALDH1A1MAPTHTTRPA1
SCHEMBL27714814 0.80 MARS1 (0.48) FABP3FABP4MARS1SLC16A3SLC16A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007101543-A2 SELECTIVE INSECTICIDES BASED ON PHTHALIC ACID DIAMIDES AND SAFENERS BAYER CROPSCIENCE AG (DE) 2007-09-13 WO claimed
EP-1418811-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED CYCLIC KETO-ENOLS AND SAFENERS Bayer CropScience AG (DE) 2004-05-19 EP claimed
WO-2003013249-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED CYCLIC KETO-ENOLS AND SAFENERS BAYER CROPSCIENCE AG (DE) 2003-02-20 WO claimed
EP-0268554-B1 1,5-DIPHENYL PYRAZOLE-3-CARBONIC-ACID DERIVATIVES FOR THE PROTECTION OF CULTURED PLANTS CIBA-GEIGY AG (CH) 1991-12-27 EP disclosed
EP-0268554-A2 1,5-Diphenyl pyrazole-3-carbonic-acid derivatives for the protection of cultured plants CIBA-GEIGY AG (CH) 1988-05-25 EP disclosed