SCHEMBL29936772

SCHEMBL29936772

COC(=O)c1c(F)c(F)c(-c2ccc(C)cc2C)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.48
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 3/20 0.43
CISD2 Q8N5K1 2/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 3/20 0.39
PTPN5 P54829 1/20 0.39
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.38
HSD17B10 Q99714 3/20 0.38
GLA P06280 1/20 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
SCHEMBL27101661 0.75 CYP46A1 (0.47) SMN1; SMN2CYP46A1ALDH1A1TDP1KDM4E
SCHEMBL29936733 0.74 CNR2 (0.54) KMT2AMEN1MAPK1CISD2ALDH1A1
SCHEMBL29936962 0.74 MAPT (0.48) KMT2AMEN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL522175 0.72 TSHR (0.61) KMT2AMEN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL29936713 0.71 HSD17B1 (0.41) KMT2AMEN1GFERSMN1; SMN2MAPK1
SCHEMBL2832514 0.70 L3MBTL1 (0.51) KMT2AMEN1GFERSMN1; SMN2MAPK1
SCHEMBL26571944 0.70 TDP1 (0.61) ALPLKMT2AMEN1SMN1; SMN2CYP46A1
SCHEMBL1719721 0.70 TSHR (0.59) SMN1; SMN2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL6838053 0.70 BDKRB1 (0.50) CYP46A1HSD17B10
SCHEMBL29936444 0.70 ALDH1A1 (0.50) ALPLKMT2AMEN1SMN1; SMN2MAPK1

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