SCHEMBL9766074

SCHEMBL9766074

COCc1c(F)c(F)c(CO)c(OC)c1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
GCGR P47871 1/20 0.35
IGF1R P08069 1/20 0.30
SRC P12931 1/20 0.30
AXL P30530 1/20 0.30
PTK2 Q05397 1/20 0.30
AURKB Q96GD4 1/20 0.30
ALK Q9UM73 1/20 0.30

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
SCHEMBL9785635 0.92 CA2 (0.39) CA2CA4GCGR
SCHEMBL359266 0.85 GCGR (0.39) CA2CA4GCGRIGF1RSRC
SCHEMBL9785382 0.83 CA2 (0.36) CA2CA4
SCHEMBL9766196 0.83 GCGR (0.33) GCGR
SCHEMBL9785640 0.82 CA2 (0.35) CA2CA4
SCHEMBL9766111 0.81 CA2 (0.43) CA2CA4
SCHEMBL27833797 0.81 HSD17B10 (0.32) CA2CA4
SCHEMBL19688655 0.78 GCGR (0.36) GCGRIGF1RSRCAXLPTK2
SCHEMBL9766119 0.78 CA2 (0.41) CA2CA4
SCHEMBL7107814 0.78 IGF1R (0.31) GCGRIGF1RSRCAXLPTK2

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
EP-0266947-B1 HALOGENATED ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
US-4853414-A 1-/2-ALKOXY-3,5-DIFLUOROBENZYL ESTERS OF 2,2-DIMETHYL-3-ALKYLCYCLOPROPIONIC ACID; INSECTICIDES; PESTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-01 US disclosed
US-4762835-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-09 US disclosed
EP-0266947-A2 Halogenated esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed
EP-0227415-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-01 EP disclosed