SCHEMBL13637283

SCHEMBL13637283

O=C(O)Cc1ccc(OCC2(COc3ccc(Cl)cc3-n3nc4ccccc4n3)CCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
FFAR1 O14842 1/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.36
MEN1 O00255 1/20 0.35
GPR183 P32249 1/20 0.35

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
SCHEMBL3587335 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3576162 0.84 LTB4R (0.48) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13637287 0.82 ALDH1A1 (0.39) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13637284 0.80 FFAR1 (0.39) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13637280 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13626011 0.77 PPARD (0.49) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3583161 0.76 PPARD (0.49) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3586512 0.76 KDM4E (0.52) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13637198 0.75 KMT2A (0.47) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL3593830 0.75 LTB4R (0.43) CPT1ACPT1BFFAR1PTGDR2MEN1

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