SCHEMBL6991780

SCHEMBL6991780

C=Cc1cc(OCc2ccccc2)ccc1O.C=Cc1cc(OCc2ccccc2)ccc1OCC(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NR1H4 Q96RI1 1/20 0.46
USP2 O75604 1/20 0.45
MAOB P27338 3/20 0.45
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
GSK3B P49841 1/20 0.43
BACE1 P56817 1/20 0.43
ABCB1 P08183 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 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
SCHEMBL5105539 0.95 NPC1 (0.51) HPGDNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL5098548 0.85 NPC1 (0.52) HPGDNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL5099007 0.81 MAOB (0.56) MAPK1MAOBHSP90AA1MAPTLMNA
SCHEMBL7914606 0.80 NPC1 (0.56) HPGDNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6700041 0.76 ABCB1 (0.53) HPGDNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL3927869 0.76 NPC1 (0.52) HPGDNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL10547115 0.76 MAOB (0.62) HPGDNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL6187602 0.76 NR1H4 (0.64) HPGDNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL9749067 0.75 ABCB1 (0.57) HPGDNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL13720748 0.75 PPARA (0.62) HPGDNPC1MAPK1RAB9ASMN1; SMN2

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
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed