SCHEMBL18030218

SCHEMBL18030218

CCCCO[C@@H]1O[C@H](CO)[C@@H](OCCCC)[C@H](OCCCC)[C@H]1OCCCC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ GJB2 P29033 1/20 0.40
▸ LGALS8 O00214 2/20 0.40
▸ LGALS3 P17931 2/20 0.40
▸ LGALS4 P56470 2/20 0.40
▸ GBA1 P04062 1/20 0.38
▸ TNF P01375 1/20 0.37
▸ FGF1 P05230 3/20 0.34
▸ FGF2 P09038 3/20 0.34
▸ VEGFA P15692 3/20 0.34
▸ HPSE Q9Y251 3/20 0.34
▸ SLC2A1 P11166 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
SCHEMBL15508127 1.00 MAPK1 (0.44) MAPK1GJB2LGALS8LGALS3LGALS4
SCHEMBL17300175 1.00 MAPK1 (0.44) MAPK1GJB2LGALS8LGALS3LGALS4
SCHEMBL18733215 1.00 MAPK1 (0.44) MAPK1GJB2LGALS8LGALS3LGALS4
SCHEMBL15508089 1.00 MAPK1 (0.44) MAPK1GJB2LGALS8LGALS3LGALS4
SCHEMBL18333048 1.00 MAPK1 (0.44) MAPK1GJB2LGALS8LGALS3LGALS4
SCHEMBL17300176 1.00 MAPK1 (0.44) MAPK1GJB2LGALS8LGALS3LGALS4
SCHEMBL16079127 1.00 MAPK1 (0.44) MAPK1GJB2LGALS8LGALS3LGALS4
SCHEMBL18733408 1.00 MAPK1 (0.44) MAPK1GJB2LGALS8LGALS3LGALS4
SCHEMBL12819629 1.00 MAPK1 (0.44) MAPK1GJB2LGALS8LGALS3LGALS4
SCHEMBL9547050 0.93 MAPK1 (0.51) MAPK1GJB2LGALS8LGALS3LGALS4

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-9701650-B2 Derivatives of sobetirome OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-07-11 — — US disclosed
WO-2016134292-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-08-25 — — WO disclosed
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