SCHEMBL8768874

SCHEMBL8768874

CCCCCCCN(Cc1ccccc1OC(C)(C)C(=O)O)C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
PPARA Q07869 6/20 0.46
PPARD Q03181 3/20 0.43
SOAT1 P35610 2/20 0.41
EGFR P00533 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CASP3 P42574 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
RBP4 P02753 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL8925558 0.91 PPARA (0.40) PPARGPPARAPPARDSOAT1EGFR
SCHEMBL8767697 0.84 PPARG (0.46) PPARGPPARAPPARDSOAT1EGFR
SCHEMBL8925673 0.76 HDAC1 (0.44) PPARGPPARAPPARDSOAT1EGFR
SCHEMBL8767912 0.74 SOAT1 (0.48) PPARGPPARAPPARDSOAT1EGFR
SCHEMBL9259009 0.74 SOAT1 (0.48) PPARGPPARAPPARDSOAT1HDAC3
SCHEMBL8768643 0.72 ALDH1A1 (0.46) PPARGPPARASOAT1EGFR
SCHEMBL8768938 0.69 PPARA (0.54) PPARGPPARAPPARDSOAT1HDAC3
SCHEMBL8768759 0.68 PPARA (0.53) PPARGPPARAPPARDSOAT1HDAC3
SCHEMBL8803723 0.68 SOAT1 (0.47) PPARGPPARAPPARDSOAT1EGFR
SCHEMBL8768899 0.68 PPARA (0.57) PPARGPPARAPPARDSOAT1HDAC3

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
EP-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP disclosed