SCHEMBL9577823

SCHEMBL9577823

CCCCCCCN(Cc1ccc(OCOCCOC)cc1)C(=O)Nc1c(F)cccc1OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.43
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 2/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 1/20 0.38
FAAH O00519 7/20 0.38

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
SCHEMBL9252064 0.87 SOAT1 (0.42) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9256182 0.85 SOAT1 (0.43) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9252442 0.85 SOAT1 (0.45) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9256781 0.85 HDAC1 (0.50) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9252305 0.82 SOAT1 (0.47) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL8768964 0.82 PPARA (0.46) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9259222 0.82 SOAT1 (0.47) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9252062 0.81 SOAT1 (0.48) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9253920 0.81 HDAC1 (0.52) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9257517 0.79 HDAC1 (0.55) SOAT1LPAR1LPAR5HDAC1HDAC6

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-0550568-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006075-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-16 WO disclosed