SCHEMBL10883601

SCHEMBL10883601

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.56
▸ GBA1 P04062 12/20 0.53
▸ GJB2 P29033 1/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ LGALS3 P17931 1/20 0.41
▸ LGALS4 P56470 1/20 0.41
▸ CETP P11597 1/20 0.40

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
SCHEMBL10880043 0.90 MAPK1 (0.56) MAPK1GBA1LGALS8LGALS3LGALS4
SCHEMBL10881693 0.90 MAPK1 (0.66) MAPK1GBA1GJB2LGALS8LGALS3
SCHEMBL10881696 0.90 MAPK1 (0.66) MAPK1GBA1GJB2LGALS8LGALS3
SCHEMBL10880031 0.90 MAPK1 (0.56) MAPK1GBA1LGALS8LGALS3LGALS4
SCHEMBL10881870 0.88 MAPK1 (0.53) MAPK1GBA1GJB2LGALS8LGALS3
SCHEMBL10881878 0.88 MAPK1 (0.53) MAPK1GBA1GJB2LGALS8LGALS3
SCHEMBL10882036 0.84 MAPK1 (0.62) MAPK1GBA1GJB2LGALS8LGALS3
SCHEMBL10882040 0.84 MAPK1 (0.62) MAPK1GBA1GJB2LGALS8LGALS3
SCHEMBL7045710 0.80 MAPK1 (0.67) MAPK1GBA1GJB2LGALS8LGALS3
SCHEMBL7556272 0.80 MAPK1 (0.67) MAPK1GBA1GJB2LGALS8LGALS3

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-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
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