SCHEMBL23280950

SCHEMBL23280950

CO[C@H]1OC(CO)[C@@H](O)C(OC(=O)NCc2ccc(-c3nnc(C)nn3)cc2)C1O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 8/20 0.48
▸ LGALS3 P17931 9/20 0.41
▸ LGALS9 O00182 2/20 0.38
▸ LGALS7; LGALS7B P47929 1/20 0.38
▸ LGALS1 P09382 1/20 0.37
▸ LGALS4 P56470 1/20 0.37

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
SCHEMBL23322857 0.74 LMNA (0.34) —
SCHEMBL25970258 0.73 LGALS3 (0.42) LGALS8LGALS3LGALS9LGALS7; LGALS7BLGALS1
SCHEMBL24635181 0.72 LGALS3 (0.42) LGALS8LGALS3LGALS9LGALS7; LGALS7BLGALS1
SCHEMBL29220981 0.71 LGALS8 (0.62) LGALS8LGALS3LGALS9LGALS7; LGALS7BLGALS1
SCHEMBL25964156 0.71 LMNA (0.33) —
SCHEMBL24635649 0.71 LGALS3 (0.38) LGALS3LGALS9LGALS7; LGALS7BLGALS1
SCHEMBL29220839 0.71 LGALS8 (0.55) LGALS8LGALS3LGALS9LGALS7; LGALS7BLGALS1
SCHEMBL29220844 0.69 LGALS3 (0.67) LGALS8LGALS3LGALS9LGALS7; LGALS7BLGALS1
SCHEMBL12898709 0.69 LGALS3 (0.67) LGALS8LGALS3LGALS9LGALS7; LGALS7BLGALS1
SCHEMBL15322811 0.68 NAMPT (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3812376-A1 PACLITAXEL-LIPID-POLYSACCHARIDE DUAL-TYPE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Santolecan Pharmaceuticals LLC (US) 2021-04-28 — — EP disclosed
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