SCHEMBL13637284

SCHEMBL13637284

O=C(O)Cc1ccc(OCC2(COc3ccc(-c4cccs4)cc3-n3nc4ccccc4n3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 9/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.35
RXFP1 Q9HBX9 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARG P37231 3/20 0.34
PPARA Q07869 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13637287 0.97 ALDH1A1 (0.39) FFAR1KDM4EALDH1A1HPGDMAPT
SCHEMBL3581379 0.87 FFAR1 (0.42) FFAR1KDM4EALDH1A1HPGDMAPT
SCHEMBL13637283 0.80 KDM4E (0.41) FFAR1KDM4EALDH1A1HPGDMAPT
SCHEMBL13637288 0.78 KDM4E (0.44) FFAR1KDM4EALDH1A1HPGDMAPT
SCHEMBL13407854 0.78 KDM4E (0.46) FFAR1KDM4EALDH1A1HPGDMAPT
SCHEMBL13442138 0.75 PPARD (0.36) FFAR1KDM4EALDH1A1HPGDMAPT
SCHEMBL13442153 0.75 KDM4E (0.36) FFAR1KDM4EALDH1A1HPGDMAPT
SCHEMBL3589424 0.74 KDM4E (0.42) FFAR1KDM4EALDH1A1HPGDMAPT
SCHEMBL13637290 0.72 ALDH1A1 (0.40) FFAR1ALDH1A1MAPTHDAC1
SCHEMBL3587335 0.70 KDM4E (0.46) FFAR1KDM4EALDH1A1HPGDMAPT

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