SCHEMBL13637290

SCHEMBL13637290

N=C1C=CC=C/C1=N/Nc1cc(-c2cccs2)ccc1OCC1(COc2ccc(CC(=O)O)cc2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
FFAR1 O14842 1/20 0.35
HDAC1 Q13547 15/20 0.33
HDAC2 Q92769 11/20 0.33
HDAC3 O15379 9/20 0.33
PSMB5 P28074 2/20 0.32
MMP2 P08253 1/20 0.31
MMP10 P09238 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 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
SCHEMBL13442137 0.79 MEN1 (0.39) ALDH1A1FFAR1HDAC1HDAC2HDAC3
SCHEMBL13637287 0.76 ALDH1A1 (0.39) ALDH1A1MAPTFFAR1HDAC1
SCHEMBL13637357 0.73 LTB4R (0.39)
SCHEMBL13637284 0.72 FFAR1 (0.39) ALDH1A1MAPTFFAR1HDAC1
SCHEMBL13441643 0.71 FFAR1 (0.39) FFAR1
SCHEMBL13442143 0.71 PPARG (0.38)
SCHEMBL13637279 0.64 PPARD (0.35) MAPT
SCHEMBL6516216 0.62 LTA4H (0.59) ALDH1A1MAPTFFAR1HDAC2MMP2
SCHEMBL13441399 0.62 HDAC1 (0.41) HDAC1HDAC2HDAC3
SCHEMBL13637199 0.61 LTB4R (0.42) ALDH1A1MAPTFFAR1

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
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed