SCHEMBL9108722

SCHEMBL9108722

CCCCCCCC(NC(=O)Nc1ccc(OC)cc1OC)c1ccc(OCCCC(C)(C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.44
PPARA Q07869 2/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
ACAT1 P24752 1/20 0.43
SOAT1 P35610 1/20 0.43
FAAH O00519 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LPAR1 Q92633 1/20 0.41
GPR88 Q9GZN0 1/20 0.40

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
SCHEMBL9111522 0.86 ALDH1A1 (0.54) MAPTTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL9256519 0.77 ALDH1A1 (0.52) MAPTTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL8925626 0.76 TSHR (0.49) MAPTTSHRHPGDPPARAKDM4E
SCHEMBL8768119 0.76 MAPT (0.48) MAPTTSHRALDH1A1KDM4ETP53
SCHEMBL8768174 0.76 ALDH1A1 (0.56) MAPTTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL8923414 0.76 PPARA (0.56) MAPTTSHRKMT2AMEN1HPGD
SCHEMBL8767887 0.71 PPARA (0.43) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL10685517 0.70 HPGD (0.53) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL702322 0.70 TAS1R3 (0.81) MAPTTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL28910050 0.69 PPARA (0.60) MAPTTSHRPPARAKDM4ETP53

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-0639178-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS. WELLCOME FOUND (GB) 1995-02-22 EP disclosed
WO-1992010468-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-25 WO disclosed