SCHEMBL28835940

SCHEMBL28835940

COC(=O)c1c(F)c(F)c(-c2ccc(C(C)(C)C)cc2)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
KIF11 P52732 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL25332785 0.83 SLC6A3 (0.50) ALDH1A1KMT2APOLBMAPK1MAPT
SCHEMBL505475 0.82 ALDH1A1 (0.35) SLC6A2ALDH1A1KMT2APOLBMAPK1
SCHEMBL29936878 0.81 ALDH1A1 (0.50) ALDH1A1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL505248 0.80 LMNA (0.57) ALDH1A1KMT2AMAPK1SMN1; SMN2RAB9A
SCHEMBL29936641 0.80 EPHX2 (0.45) ALDH1A1KMT2APOLBMAPK1SMN1; SMN2
SCHEMBL29936785 0.78 L3MBTL1 (0.49) ALDH1A1KMT2APOLBMAPK1MAPT
SCHEMBL505395 0.78 ALDH1A1 (0.53) ALDH1A1KMT2APOLBMAPK1MAPT
SCHEMBL505633 0.78 TSHR (0.46) ALDH1A1KMT2APOLBMAPK1MAPT
SCHEMBL29106646 0.78 LMNA (0.58) ALDH1A1KMT2APOLBSMN1; SMN2RAB9A
SCHEMBL12762364 0.77 KIF11 (0.46) ALDH1A1KMT2AMAPK1MAPTSMN1; SMN2

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