SCHEMBL13155348

SCHEMBL13155348

CCCOCCOCC(COCC(COCC(COCC(COCC(COCC(COCCOCCC)OCCOCCOOC)OCCOCCOOC)OCCOCCOOC)OCCOCCOOC)OCCOCCOOC)OCCOCCOOC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ LPAR1 Q92633 4/20 0.35
▸ LPAR3 Q9UBY5 4/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ USP2 O75604 1/20 0.31
▸ PRKD3 O94806 1/20 0.30
▸ PRKCG P05129 1/20 0.30
▸ PRKCB P05771 1/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ PRKCH P24723 1/20 0.30
▸ PRKCI P41743 1/20 0.30
▸ PRKCE Q02156 1/20 0.30
▸ PRKCQ Q04759 1/20 0.30
▸ PRKCZ Q05513 1/20 0.30
▸ PRKCD Q05655 1/20 0.30
▸ PRKD1 Q15139 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL12341860 1.00 HSD17B10 (0.36) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL16473876 0.88 HSD17B10 (0.44) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL13155260 0.88 LPAR1 (0.32) LPAR1LPAR3
SCHEMBL23408864 0.86 HSD17B10 (0.46) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL20089588 0.82 HSD17B10 (0.40) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL2624359 0.80 LPAR1 (0.42) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL12410368 0.80 HSD17B10 (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL14616848 0.80 HSD17B10 (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL14616857 0.80 HSD17B10 (0.48) HSD17B10TDP1LPAR1LPAR3LPAR2
SCHEMBL20026178 0.79 USP2 (0.32) USP2

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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