SCHEMBL10884131

SCHEMBL10884131

CCCCOC1O[C@H](CO)[C@@H](O)[C@H](NCC)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.53
▸ LGALS8 O00214 2/20 0.40
▸ LGALS3 P17931 2/20 0.40
▸ LGALS4 P56470 2/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CETP P11597 1/20 0.37
▸ GJB2 P29033 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SELL P14151 1/20 0.35
▸ SELP P16109 1/20 0.35
▸ SELE P16581 1/20 0.35

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
SCHEMBL10884139 1.00 MAPK1 (0.53) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL10881878 0.89 MAPK1 (0.53) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL10881870 0.89 MAPK1 (0.53) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL10880031 0.88 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL10880043 0.88 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL29176364 0.84 MAPK1 (0.69) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL15353513 0.83 MAPK1 (0.58) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL7044129 0.83 MAPK1 (0.58) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL14691219 0.83 MAPK1 (0.58) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL14690954 0.83 MAPK1 (0.58) MAPK1LGALS8LGALS3LGALS4CETP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4593090-A Containing perhydrofuran or pyran ring structure GOGO KIMURA (JP) 1986-06-03 — — US disclosed
EP-0067019-B1 NOVEL NITROSOUREA COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Kimura, Goro (JP) 1986-03-19 — — EP disclosed
EP-0067019-A1 Novel nitrosourea compound, method for preparing same, and pharmaceutical composition containing same Kimura, Goro (JP) 1982-12-15 — — EP disclosed
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