SCHEMBL11545186

SCHEMBL11545186

CCCCCCCCCCCCCCCCNc1ccc(C(=O)O)c(CCC(CO)C(C)O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 4/20 0.44
▸ S1PR3 Q99500 1/20 0.39
▸ CISD1 Q9NZ45 6/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ RARB P10826 2/20 0.37
▸ RARA P10276 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL11549811 0.81 PLK1 (0.48) PLK1S1PR3CISD1BCL2L1MCL1
SCHEMBL11313036 0.75 PLK1 (0.58) PLK1CISD1BCL2L1MCL1PPARA
SCHEMBL11318599 0.75 PLK1 (0.58) PLK1CISD1BCL2L1MCL1PPARA
SCHEMBL11316566 0.75 PLK1 (0.58) PLK1CISD1BCL2L1MCL1PPARA
SCHEMBL11306890 0.75 PLK1 (0.58) PLK1CISD1BCL2L1MCL1PPARA
SCHEMBL11307705 0.75 PLK1 (0.58) PLK1CISD1BCL2L1MCL1PPARA
SCHEMBL11307858 0.75 PLK1 (0.58) PLK1CISD1BCL2L1MCL1PPARA
SCHEMBL11320571 0.75 PLK1 (0.58) PLK1CISD1BCL2L1MCL1PPARA
SCHEMBL11309283 0.75 PLK1 (0.58) PLK1CISD1BCL2L1MCL1PPARA
SCHEMBL11320812 0.75 PLK1 (0.58) PLK1CISD1BCL2L1MCL1PPARA

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
US-4146546-A LOWER SERUM STEROLS AND TRIGLYCERIDES AMERICAN CYANAMID COMPANY (US) 1979-03-27 — — US disclosed
US-4058550-A HYPOLIPEMIC AMERICAN CYANAMID COMPANY (US) 1977-11-15 — — US disclosed
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