SCHEMBL13637288

SCHEMBL13637288

O=C(O)Cc1ccc(NC(=O)CCOc2ccc(-c3cccs3)cc2-n2nc3ccccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MMP2 P08253 1/20 0.39
MMP10 P09238 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
HDAC1 Q13547 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.39
NR1H4 Q96RI1 2/20 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
SCHEMBL3581379 0.85 FFAR1 (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13637284 0.78 FFAR1 (0.39) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13407854 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13637287 0.77 ALDH1A1 (0.39) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13442138 0.75 PPARD (0.36) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13442153 0.75 KDM4E (0.36) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL3586378 0.72 PPARG (0.40) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3589424 0.70 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL13637161 0.68 PPARD (0.42) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL3587335 0.68 KDM4E (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9

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