SCHEMBL20216524

SCHEMBL20216524

COC1C(O)[C@H](OC2C(NC(C)=O)[C@H](C)OC(CO)[C@H]2O)OC(C(=O)O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.45
▸ LGALS3 P17931 7/20 0.43
▸ LGALS8 O00214 3/20 0.43
▸ LGALS4 P56470 1/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ LGALS7; LGALS7B P47929 2/20 0.42
▸ LGALS1 P09382 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ LGALS9 O00182 2/20 0.41
▸ CHIA Q9BZP6 1/20 0.38
▸ PTN P21246 1/20 0.38
▸ MDK P21741 1/20 0.38
▸ BDNF P23560 1/20 0.38

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
SCHEMBL7006551 1.00 MAPK1 (0.45) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL11989411 1.00 MAPK1 (0.45) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL17072293 1.00 MAPK1 (0.45) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL12213976 0.92 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL12085239 0.92 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL25121361 0.92 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL18254178 0.92 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL21374694 0.92 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL15215584 0.92 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL15082697 0.92 MAPK1 (0.44) MAPK1LGALS3LGALS8LGALS4CD69

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
US-9987367-B2 Hyaluronic acid-based drug delivery systems NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-06-05 — — US disclosed
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