SCHEMBL9548115

SCHEMBL9548115

[CH2]c1c(F)c(F)c(F)c(F)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TYMP P19971 1/20 0.35
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GRM5 P41594 1/20 0.32
ACHE P22303 2/20 0.31
DHODH Q02127 1/20 0.31
DHFR P00374 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL10920553 0.88 LMNA (0.37) LMNAMAPTHTTALDH1A1TYMP
SCHEMBL10463617 0.88 LMNA (0.40) LMNAMAPTHTTALDH1A1TYMP
SCHEMBL7713106 0.82 LMNA (0.48) LMNAMAPTHTTALDH1A1TYMP
SCHEMBL247368 0.82 LMNA (0.48) LMNAMAPTHTTALDH1A1TYMP
SCHEMBL6402127 0.79 LMNA (0.46) LMNAMAPTHTTALDH1A1TYMP
SCHEMBL7704707 0.79 LMNA (0.46) LMNAMAPTHTTALDH1A1TYMP
SCHEMBL7711087 0.79 ALDH1A1 (0.50) LMNAMAPTHTTALDH1A1TYMP
SCHEMBL31305580 0.77 LMNA (0.43) LMNAMAPTHTTALDH1A1TYMP
SCHEMBL17747946 0.76 LMNA (0.48) LMNAMAPTHTTALDH1A1TYMP
SCHEMBL14182621 0.76 LMNA (0.48) LMNAMAPTHTTALDH1A1TYMP

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
JP-5194293-A None JP disclosed
JP-H05194293-A PREPARATION OF TERTIARY TRI-AND TETRAFLUOROPHENYLBENZYL ALCOHOLS MERCK PATENT GMBH 1993-08-03 JP disclosed