SCHEMBL23280964

SCHEMBL23280964

CC(=O)NC1C(O[C@@H]2OC(C(=O)O)[C@@H](O)C(OC(C)(C)C)C2O)[C@H](O)C(CO)O[C@H]1OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ LGALS8 O00214 2/20 0.43
▸ LGALS4 P56470 1/20 0.43
▸ CD69 Q07108 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MDK P21741 3/20 0.40
▸ BDNF P23560 3/20 0.40
▸ PTN P21246 2/20 0.40
▸ CHIA Q9BZP6 1/20 0.39
▸ LGALS1 P09382 1/20 0.38
▸ LGALS7; LGALS7B P47929 1/20 0.38
▸ MAG P20916 1/20 0.38
▸ LGALS9 O00182 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
SCHEMBL19852803 0.92 LGALS3 (0.45) LGALS3MAPK1LGALS8LGALS4CD69
SCHEMBL20998797 0.86 LGALS3 (0.55) LGALS3MAPK1LGALS8LGALS4CD69
SCHEMBL25645148 0.84 LGALS3 (0.51) LGALS3MAPK1LGALS8LGALS4CD69
SCHEMBL13321922 0.84 LGALS3 (0.49) LGALS3MAPK1LGALS8LGALS4CD69
SCHEMBL19892602 0.83 MAPK1 (0.45) LGALS3MAPK1LGALS8LGALS4CD69
SCHEMBL26479163 0.83 MDK (0.45) LGALS3MAPK1LGALS8LGALS4CD69
SCHEMBL22137175 0.82 LGALS3 (0.42) LGALS3MAPK1LGALS8LGALS4CD69
SCHEMBL24036373 0.81 MDK (0.51) LGALS3LGALS8LGALS4CD69MDK
SCHEMBL23613747 0.81 LGALS3 (0.61) LGALS3MAPK1LGALS8LGALS4CD69
SCHEMBL20291137 0.81 LGALS3 (0.45) LGALS3MAPK1LGALS8LGALS4CD69

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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