SCHEMBL13625944

SCHEMBL13625944

Cc1cc2nc(-c3cccc(OCCCSc4ccc(OCC(=O)O)c(C)c4)c3)oc2cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.49
PPARA Q07869 7/20 0.49
FFAR1 O14842 1/20 0.49
PPARG P37231 7/20 0.48
TP53 P04637 5/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL3589081 0.91 PPARA (0.50) PPARDPPARAFFAR1PPARGTP53
SCHEMBL3592004 0.87 PPARG (0.51) PPARDPPARAFFAR1PPARG
SCHEMBL13441607 0.77 PPARD (0.48) PPARDPPARAFFAR1PPARG
SCHEMBL3532465 0.76 PPARA (0.57) PPARDPPARAPPARGKDM4E
SCHEMBL13407815 0.75 MAPT (0.52) PPARDPPARAPPARGTP53MAPT
SCHEMBL3580557 0.73 PPARD (0.45) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL7014930 0.73 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL3534765 0.72 PPARG (0.71) PPARDPPARAPPARG
SCHEMBL3530502 0.72 PPARG (0.52) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL5112312 0.71 PPARG (0.60) PPARDPPARAPPARG

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
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
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