SCHEMBL8537264

SCHEMBL8537264

CCC(O)c1ccc(Cc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
AOC3 Q16853 1/20 0.49
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TRPA1 O75762 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL2632364 0.90 LMNA (0.60) LMNAAOC3HTR2AHTR2CHTR7
SCHEMBL14569262 0.90 LMNA (0.60) LMNAAOC3HTR2AHTR2CHTR7
SCHEMBL1978021 0.90 LMNA (0.60) LMNAAOC3HTR2AHTR2CHTR7
SCHEMBL9607168 0.82 LMNA (0.69) LMNAAOC3MEN1KMT2AKDM4E
SCHEMBL1607138 0.78 LMNA (0.75) LMNAAOC3TDP1KDM4EALDH1A1
SCHEMBL9607473 0.78 LTA4H (0.53) LMNAAOC3ALDH1A1
SCHEMBL3917902 0.77 LMNA (0.60) LMNATDP1ALDH1A1TRPA1TAAR1
SCHEMBL10397242 0.77 AOC3 (0.52) AOC3HTR2AHTR2CHTR7KDM4E
SCHEMBL3917903 0.77 LMNA (0.60) LMNATDP1ALDH1A1TRPA1TAAR1
SCHEMBL9607167 0.76 PDE2A (0.48) LMNAALDH1A1

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
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed