SCHEMBL13726445

SCHEMBL13726445

COC(=O)Oc1cccc(-c2ccc(F)cc2)c1CF

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM3 P20309 3/20 0.38
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 0.38
TUBB8 Q3ZCM7 3/20 0.38
TUBA3E Q6PEY2 3/20 0.38
TUBA1A Q71U36 3/20 0.38
TUBA1C Q9BQE3 3/20 0.38
TUBB6 Q9BUF5 3/20 0.38
TUBB2B Q9BVA1 3/20 0.38

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
SCHEMBL13725409 0.90 KDM4E (0.49) SLC6A4SLC6A3KDM4EHPGDHSD17B10
SCHEMBL13726199 0.88 TUBB4A (0.41) KDM4EHPGDHSD17B10CHRM3TUBB4A
SCHEMBL13725467 0.83 KDM4E (0.44) KDM4EHPGDHSD17B10CHRM3ELANE
SCHEMBL13823896 0.79 SLC6A3 (0.68) SLC6A4SLC6A3KDM4EHPGDTUBB4A
SCHEMBL13725281 0.71 ERN1 (0.45) SLC6A4SLC6A3KDM4EHPGDHSD17B10
SCHEMBL1834873 0.71 KDM4E (0.61) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL13725156 0.70 KDM4E (0.42) SLC6A4SLC6A3KDM4EHPGDHSD17B10
SCHEMBL9754835 0.70 KDM4E (0.51) SLC6A4SLC6A3KDM4EHPGDHSD17B10
SCHEMBL6254697 0.69 KDM4E (0.63) SLC6A4SLC6A3KDM4EHPGDHSD17B10
SCHEMBL13823878 0.69 PDCD1 (0.41) SLC6A4SLC6A3PTGS1

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
WO-2012150221-A2 NOVEL HALOGENATED BENZYL ALCOHOL ESTERS OF CYCLOPROPANE CARBOXYLIC ACID AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed