SCHEMBL28615740

SCHEMBL28615740

CC(O)COc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CASR P41180 1/20 0.49
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 1/20 0.45
AOC3 Q16853 1/20 0.45
ACACB O00763 1/20 0.43
PDE2A O00408 1/20 0.42
EPHX1 P07099 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN10A Q9Y5Y9 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
VNN1 O95497 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL13676825 0.85 CCR6 (0.47) LMNACASRALDH1A1L3MBTL1MAOB
SCHEMBL5949941 0.84 LMNA (0.78) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL8370450 0.83 LMNA (0.56) LMNASMN1; SMN2
SCHEMBL8608007 0.81 SCN10A (0.51) LMNACASRALDH1A1L3MBTL1MAOB
SCHEMBL27665176 0.81 LMNA (0.58) LMNAALDH1A1MAOBAOC3
SCHEMBL27710429 0.81 LMNA (0.58) LMNAALDH1A1MAOBAOC3
SCHEMBL21649317 0.80 FFAR1 (0.47) LMNACASRALDH1A1L3MBTL1MAOB
SCHEMBL10529241 0.79 LMNA (0.55) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL6273026 0.79 LMNA (0.64) LMNACASRMEN1KMT2AMAPT
SCHEMBL1835550 0.79 LMNA (0.64) LMNACASRMEN1KMT2AMAPT

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
CN-109641831-B Monomers, polymers, preparation method and use thereof 东莞东阳光医疗智能器件研发有限公司 2021-09-10 CN disclosed