SCHEMBL13155378

SCHEMBL13155378

CCCOCCOCC(COCC(COCC(COCC(COCC(COCC(COCCOCCC)OCCOCCOC=O)OCCOCCOC=O)OCCOCCOC=O)OCCOCCOC=O)OCCOCCOC=O)OCCOCCOC=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 4/20 0.36
▸ LPAR3 Q9UBY5 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13155260 0.91 LPAR1 (0.32) LPAR1LPAR3
SCHEMBL16473876 0.85 HSD17B10 (0.44) LPAR1LPAR3HSD17B10LPAR2TDP1
SCHEMBL23408864 0.83 HSD17B10 (0.46) LPAR1LPAR3HSD17B10LPAR2TDP1
SCHEMBL12317240 0.81 LPAR1 (0.34) LPAR1LPAR3LPAR2
SCHEMBL4397692 0.81 — —
SCHEMBL4396233 0.81 CYP3A4 (0.33) HSD17B10
SCHEMBL5401232 0.81 CYP3A4 (0.33) HSD17B10
SCHEMBL20089588 0.80 HSD17B10 (0.40) LPAR1LPAR3HSD17B10LPAR2TDP1
SCHEMBL24208086 0.77 LPAR1 (0.49) LPAR1LPAR3LPAR2
SCHEMBL19543437 0.77 — —

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-7794700-B2 Multimeric VLA-4 antagonists comprising polymer moieties ELAN PHARMACEUTICALS INC. (US) 2010-09-14 — — US disclosed
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