SCHEMBL17188245

SCHEMBL17188245

CCCCCCCCCCCCCCCCOCC(CO[C@@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O)OC

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.53
▸ AKT1 P31749 4/20 0.48
▸ AKT2 P31751 4/20 0.48
▸ AKT3 Q9Y243 4/20 0.48
▸ PIK3R1 P27986 2/20 0.48
▸ PIK3CA P42336 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ LPAR6 P43657 1/20 0.45
▸ LPAR1 Q92633 1/20 0.45
▸ LPAR4 Q99677 1/20 0.45
▸ LPAR5 Q9H1C0 1/20 0.45
▸ LPAR2 Q9HBW0 1/20 0.45
▸ LPAR3 Q9UBY5 1/20 0.45

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
SCHEMBL19079075 1.00 CETP (0.53) CETPAKT1AKT2AKT3PIK3R1
SCHEMBL23000963 1.00 CETP (0.53) CETPAKT1AKT2AKT3PIK3R1
SCHEMBL17817032 1.00 CETP (0.53) CETPAKT1AKT2AKT3PIK3R1
SCHEMBL14666330 1.00 CETP (0.53) CETPAKT1AKT2AKT3PIK3R1
SCHEMBL14666253 0.92 LGALS8 (0.56) CETPAKT1AKT2AKT3PIK3R1
SCHEMBL17188247 0.92 LGALS8 (0.56) CETPAKT1AKT2AKT3PIK3R1
SCHEMBL14666207 0.91 MAPK1 (0.46) CETPAKT1AKT2AKT3PIK3R1
SCHEMBL10782436 0.90 CETP (0.53) CETPMAPK1
SCHEMBL3015938 0.90 CETP (0.53) CETPMAPK1
SCHEMBL19874824 0.90 CETP (0.53) CETPMAPK1

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-9161944-B2 Method for preventing cancer metastasis INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2015-10-20 — — US disclosed
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