SCHEMBL2070877

SCHEMBL2070877

CCC(Oc1ccc(Sc2cc(C#Cc3ccc(OC)c(OC)c3)cc(C#Cc3ccc(OC)c(OC)c3)c2)cc1C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.43
ACACB O00763 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
PPARD Q03181 5/20 0.36
LDHA P00338 1/20 0.35
ACHE P22303 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
PTGES O14684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL2068483 0.88 MMP2 (0.41) PPARAACACBSMN1; SMN2PPARGPPARD
SCHEMBL2068734 0.82 PPARA (0.40) PPARASMN1; SMN2PPARGPTGDR2PPARD
SCHEMBL2069999 0.81 PPARD (0.51) PPARASMN1; SMN2PPARGPPARD
SCHEMBL2069218 0.81 PPARA (0.40) PPARAACACBSMN1; SMN2PPARGPTGDR2
SCHEMBL2069381 0.79 PPARA (0.46) PPARASMN1; SMN2PPARGPTGDR2PPARD
SCHEMBL2070336 0.79 PTGDR2 (0.42) PPARAACACBPPARGPTGDR2PPARD
SCHEMBL2069236 0.78 PPARA (0.50) PPARASMN1; SMN2PPARGPTGDR2PPARD
SCHEMBL2825595 0.77 P4HB (0.36) ACACBACHEALDH1A1MAPTKDM4E
SCHEMBL2825593 0.77 ACACB (0.35) ACACBACHEALDH1A1MAPT
SCHEMBL2068774 0.76 PPARD (0.38) PPARASMN1; SMN2PPARGPTGDR2PPARD

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-7968723-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed