SCHEMBL29936760

SCHEMBL29936760

COC(=O)c1c(F)c(F)c(-c2ccc(OC)c(OC)c2)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
PTGS2 P35354 2/20 0.44
SLC10A2 Q12908 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43

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
SCHEMBL29936792 0.85 AR (0.40) MAPTALDH1A1MAPK1HPGDHSD17B10
SCHEMBL29936962 0.80 MAPT (0.48) MAPTALDH1A1MAPK1HPGDPTGS2
SCHEMBL29936878 0.80 ALDH1A1 (0.50) MAPTALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL25332785 0.79 SLC6A3 (0.50) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL505248 0.76 LMNA (0.57) ALDH1A1MAPK1HPGDDHODHKMT2A
SCHEMBL9860680 0.75 SLC10A2 (0.56) MAPTALDH1A1MAPK1HPGDHSD17B10
SCHEMBL1822757 0.75 MAPK1 (0.44) MAPTALDH1A1MAPK1HPGDKMT2A
SCHEMBL29936733 0.74 CNR2 (0.54) MAPTALDH1A1MAPK1HPGDHSD17B10
SCHEMBL505395 0.74 ALDH1A1 (0.53) MAPTALDH1A1MAPK1ERN1KMT2A
SCHEMBL505633 0.74 TSHR (0.46) MAPTALDH1A1MAPK1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010600-B Method for synthesizing polyfluoroaryl carboxylic acid compound based on aryl fluorocarbon bond carboxylation reaction 四川大学 2023-11-17 CN disclosed
CN-115010600-A Method for synthesizing polyfluoroaryl carboxylic acid compounds based on aryl fluorocarbon bond carboxylation reaction 四川大学 2022-09-06 CN disclosed