SCHEMBL13637277

SCHEMBL13637277

O=C(O)COc1ccc(OCCCOc2ccc(-n3cccn3)cc2-n2nc3ccccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 2/20 0.42
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.39
MCL1 Q07820 2/20 0.39
PTGDR Q13258 1/20 0.39
PTGER2 P43116 1/20 0.38
TBXAS1 P24557 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37

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
SCHEMBL3593824 0.81 PPARG (0.51) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL13637196 0.81 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL13440569 0.81 KDM4E (0.51) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL13440568 0.79 KDM4E (0.52) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL13442151 0.79 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL13637276 0.77 PPARG (0.46) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL13441819 0.76 KDM4E (0.50) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL13637273 0.76 PPARD (0.48) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL13637278 0.76 PPARD (0.47) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL3587102 0.75 TDP1 (0.49) KDM4EMAPTALDH1A1HPGDNPC1

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