SCHEMBL24643274

SCHEMBL24643274

FC(F)(F)C1C[C@@H]2C=CC1C2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL203770 1.00 LMNA (0.34) LMNAKDM4EALDH1A1TDP1GAA
SCHEMBL3880292 0.80 LMNA (0.36) LMNAKDM4EALDH1A1TDP1GAA
SCHEMBL13259999 0.80 ALDH1A1 (0.36) LMNAKDM4EALDH1A1TDP1GAA
SCHEMBL200337 0.80 KDM4E (0.32) LMNAKDM4EALDH1A1TDP1GAA
SCHEMBL4415495 0.78 KDM4E (0.31) LMNAKDM4EALDH1A1TDP1GAA
SCHEMBL12256195 0.77 KDM4E (0.31) LMNAKDM4E
SCHEMBL13532353 0.77 ALDH1A1 (0.35) LMNAKDM4EALDH1A1TDP1USP2
SCHEMBL75227 0.77 ALDH1A1 (0.35) LMNAKDM4EALDH1A1TDP1GAA
SCHEMBL7048034 0.77 ALDH1A1 (0.35) LMNAKDM4EALDH1A1TDP1GAA
SCHEMBL18714194 0.77 ALDH1A1 (0.35) LMNAKDM4EALDH1A1TDP1GAA

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
WO-2022164503-A1 REPROCESSABLE COMPOSITIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-08-04 WO disclosed