SCHEMBL8117751

SCHEMBL8117751

COCc1cc(CC(=O)O)on1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
HCAR2 Q8TDS4 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 1/20 0.37
VHL P40337 1/20 0.36
HSD17B10 Q99714 1/20 0.35
PRKCE Q02156 1/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE3A Q14432 1/20 0.35
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARD Q03181 2/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL4853136 0.81 PPARA (0.38) PPARAKDM4EALDH1A1HPGDGAA
SCHEMBL13308736 0.81 PPARA (0.48) PPARAGAAVHLMAPTTDP1
SCHEMBL25930327 0.79 PPARA (0.48) PPARAALDH1A1PTGS2
SCHEMBL19598747 0.78 PPARA (0.56) PPARAALDH1A1HPGDMAPTPOLB
SCHEMBL24102738 0.77 TSHR (0.43) ALDH1A1MAPTL3MBTL1
SCHEMBL14069081 0.77 PPARA (0.33) PPARAPOLBTDP1L3MBTL1
SCHEMBL5297276 0.77 VHL (0.42) PPARAALDH1A1HPGDVHLHSD17B10
SCHEMBL262219 0.76 HCAR2 (0.52) HCAR2ALDH1A1HPGDGAAPRKCE
SCHEMBL11374447 0.76 PTGS1 (0.42) KDM4EALDH1A1HPGDGAAVHL
SCHEMBL25603629 0.75 PPARA (0.65) PPARAHCAR2ALDH1A1HPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691962-B1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AG (DE) 2000-09-13 EP disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed