SCHEMBL12736606

SCHEMBL12736606

CCCCCCCCCCCCCCCCOCCOCC1OC(O[C@@H]2C(COCCCOCCO)OC(O[C@@H]3C(COCCOCCCCCCCCCCCCCCCC)OC(O)[C@@H](O)[C@H]3OCCO)[C@@H](O)[C@H]2O)[C@@H](OCCO)[C@@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 5/20 0.47
▸ LGALS8 O00214 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ LGALS4 P56470 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GBA1 P04062 1/20 0.36
▸ ENGASE Q8NFI3 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ TLR4 O00206 1/20 0.34
▸ TNF P01375 1/20 0.34

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
SCHEMBL17688996 0.89 GJB2 (0.50) GJB2LGALS8LGALS3LGALS4MEN1
SCHEMBL17688998 0.83 LGALS8 (0.52) GJB2LGALS8LGALS3LGALS4MAPK1
SCHEMBL12736601 0.82 GJB2 (0.41) GJB2LGALS8LGALS3LGALS4MEN1
SCHEMBL12736613 0.82 GJB2 (0.43) GJB2LGALS8LGALS3LGALS4ENGASE
SCHEMBL12736611 0.81 GJB2 (0.45) GJB2LGALS8LGALS3LGALS4ENGASE
SCHEMBL412539 0.81 LGALS8 (0.54) GJB2LGALS8LGALS3LGALS4ENGASE
SCHEMBL9804026 0.81 LGALS8 (0.54) GJB2LGALS8LGALS3LGALS4ENGASE
SCHEMBL18867331 0.78 GJB2 (0.49) GJB2LGALS8LGALS3LGALS4GBA1
SCHEMBL19204198 0.78 GJB2 (0.52) GJB2LGALS8LGALS3LGALS4GBA1
SCHEMBL14327697 0.77 AMY2A (0.41) GJB2LGALS8LGALS3LGALS4

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-9315715-B2 Method of reducing the viscosity of hydrocarbons NALCO COMPANY (US) 2016-04-19 — — US disclosed
US-20110092393-A1 METHOD OF REDUCING THE VISCOSITY OF HYDROCARBONS APERGY ESP SYSTEMS, LLC 2011-04-21 — — US disclosed
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