SCHEMBL11549811

SCHEMBL11549811

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.48
▸ KCNH2 Q12809 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CISD1 Q9NZ45 5/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PNLIP P16233 1/20 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
SCHEMBL11067066 0.89 KCNH2 (0.41) PLK1KCNH2ABL1EGFRSYK
SCHEMBL11348780 0.81 PLK1 (0.47) PLK1ABL1S1PR3EGFRSYK
SCHEMBL11545186 0.81 PLK1 (0.44) PLK1ABL1S1PR3EGFRSYK
SCHEMBL11313119 0.80 PLK1 (0.45) PLK1ABL1PNLIP
SCHEMBL11309283 0.79 PLK1 (0.58) PLK1ABL1EGFRSYKALOX5
SCHEMBL11320812 0.79 PLK1 (0.58) PLK1ABL1EGFRSYKALOX5
SCHEMBL11307858 0.79 PLK1 (0.58) PLK1ABL1EGFRSYKALOX5
SCHEMBL11307705 0.79 PLK1 (0.58) PLK1ABL1EGFRSYKALOX5
SCHEMBL5025350 0.79 PLK1 (0.49) PLK1KCNH2S1PR3ALOX5PTGS2
SCHEMBL11318599 0.79 PLK1 (0.58) PLK1ABL1EGFRSYKALOX5

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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