SCHEMBL10881108

SCHEMBL10881108

C=C(C)CN[C@H]1[C@@H](OCCCC)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.60
▸ LGALS8 O00214 2/20 0.41
▸ LGALS3 P17931 2/20 0.41
▸ LGALS4 P56470 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CETP P11597 1/20 0.36
▸ B4GALT1 P15291 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GJB2 P29033 1/20 0.36

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
SCHEMBL10881117 1.00 MAPK1 (0.60) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL10882036 0.84 MAPK1 (0.62) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL10882040 0.84 MAPK1 (0.62) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL10881693 0.82 MAPK1 (0.66) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL10881696 0.82 MAPK1 (0.66) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL29176364 0.82 MAPK1 (0.69) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL19020553 0.81 MAPK1 (0.64) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL24943521 0.80 MAPK1 (0.90) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL13786399 0.80 MAPK1 (0.90) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL14010278 0.80 MAPK1 (0.90) MAPK1LGALS8LGALS3LGALS4CA1

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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