SCHEMBL18589697

SCHEMBL18589697

CO[C@@H]1C(OC=O)O[C@@H](OC2[C@@H](O)C(CO)O[C@@H](C)[C@H]2NC(C)=O)[C@@H](O)C1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.45
▸ LGALS8 O00214 2/20 0.45
▸ LGALS4 P56470 1/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ CD69 Q07108 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ LGALS1 P09382 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ LGALS9 O00182 1/20 0.39
▸ CHIA Q9BZP6 1/20 0.39
▸ AMY2A P04746 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
SCHEMBL15274901 1.00 LGALS3 (0.45) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL16659352 1.00 LGALS3 (0.45) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL17212844 0.89 LGALS3 (0.46) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL18589695 0.87 LGALS3 (0.47) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL14091725 0.87 LGALS3 (0.47) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL27269262 0.86 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL12214020 0.86 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL2602688 0.85 LGALS3 (0.49) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL25121361 0.85 MAPK1 (0.44) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL18254178 0.85 MAPK1 (0.44) LGALS3LGALS8LGALS4MAPK1CD69

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-20170067012-A1 HYALURONIC ACID DERIVATIVES AND COMPOSITION FOR CELL-SURFACE ENGINEERING USING THE SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-03-09 — — US disclosed
Send feedback