SCHEMBL9417389

SCHEMBL9417389

CCCCCC=CCC=CCCCCCCCC(=O)Nc1cccc(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT2 O75908 1/20 0.64
▸ SOAT1 P35610 1/20 0.64
▸ PSMB11 A5LHX3 2/20 0.54
▸ PSMA7 O14818 2/20 0.54
▸ PSMB1 P20618 2/20 0.54
▸ PSMA1 P25786 2/20 0.54
▸ PSMA2 P25787 2/20 0.54
▸ PSMA3 P25788 2/20 0.54
▸ PSMA4 P25789 2/20 0.54
▸ PSMB8 P28062 2/20 0.54
▸ PSMB9 P28065 2/20 0.54
▸ PSMA5 P28066 2/20 0.54
▸ PSMB4 P28070 2/20 0.54
▸ PSMB6 P28072 2/20 0.54
▸ PSMB5 P28074 2/20 0.54
▸ PSMB10 P40306 2/20 0.54
▸ PSMB3 P49720 2/20 0.54
▸ PSMB2 P49721 2/20 0.54
▸ PSMA6 P60900 2/20 0.54
▸ PSMA8 Q8TAA3 2/20 0.54

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
SCHEMBL9417384 1.00 SOAT2 (0.64) SOAT2SOAT1PSMB11PSMA7PSMB1
SCHEMBL9171768 0.98 SOAT2 (0.67) SOAT2SOAT1PSMB11PSMA7PSMB1
SCHEMBL9171776 0.98 SOAT2 (0.67) SOAT2SOAT1PSMB11PSMA7PSMB1
SCHEMBL9168644 0.91 SOAT2 (0.54) SOAT2SOAT1MEN1KMT2AALDH1A1
SCHEMBL10710359 0.87 SOAT2 (0.66) SOAT2SOAT1PSMB11PSMA7PSMB1
SCHEMBL10710362 0.87 SOAT2 (0.66) SOAT2SOAT1PSMB11PSMA7PSMB1
SCHEMBL9162956 0.85 EPHX2 (0.49) SOAT2SOAT1CNR1CNR2MEN1
SCHEMBL16624603 0.85 SOAT2 (0.62) SOAT2SOAT1PSMB11PSMA7PSMB1
SCHEMBL18240159 0.82 SOAT2 (0.94) SOAT2SOAT1PSMB11PSMA7PSMB1
SCHEMBL469579 0.82 SOAT2 (0.68) SOAT2SOAT1PSMB11PSMA7PSMB1

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-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 — — US disclosed
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