SCHEMBL29980557

SCHEMBL29980557

O=C(Cc1cccc(F)c1)c1ccc(CCc2cc(F)ccc2O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
HIF1A Q16665 2/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PIK3CA P42336 3/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DAO P14920 1/20 0.41
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
MPO P05164 1/20 0.38
NPC1 O15118 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
SCHEMBL29980324 0.86 LMNA (0.49) LMNAMAPTHIF1AXBP1HTT
SCHEMBL29895835 0.78 HTT (0.50) LMNAMAPTHIF1AXBP1HTT
SCHEMBL150248 0.78 HTT (0.50) LMNAMAPTHIF1AXBP1HTT
SCHEMBL10561782 0.76 PIK3CA (0.68) LMNAMAPTHIF1AHTTSMN1; SMN2
SCHEMBL8430000 0.74 AKR1B1 (0.51) MAPTHIF1AKDM4ETP53ALOX15
SCHEMBL29980690 0.74 DGAT1 (0.49) LMNAMAPTHIF1AHTTSMN1; SMN2
SCHEMBL149865 0.72 HTT (0.61) LMNAMAPTHIF1AHTTSMN1; SMN2
SCHEMBL10560970 0.72 LMNA (0.54) LMNAMAPTHIF1AXBP1HTT
SCHEMBL1515773 0.72 CES2 (0.53) LMNAMAPTHTTSMN1; SMN2KDM4E
SCHEMBL8429903 0.71 ALOX15 (0.46) HIF1AKDM4EALOX15HSD17B10MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141092-A Synthetic method of anti-lymphoma drug related compound 诚达药业股份有限公司 2022-10-04 CN claimed
CN-115141092-A Synthetic method of anti-lymphoma drug related compound 诚达药业股份有限公司 2022-10-04 CN disclosed
CN-115141092-A Synthetic method of anti-lymphoma drug related compound 诚达药业股份有限公司 2022-10-04 CN disclosed