SCHEMBL19669942

SCHEMBL19669942

CCC(C)(CC)[C@H]1OC(CO)C(O)C(OC2OC(C(=O)O)C3OC3C2O)C1NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 7/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ LGALS4 P56470 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ CHIA Q9BZP6 1/20 0.40
▸ CD69 Q07108 1/20 0.39
▸ LGALS7; LGALS7B P47929 2/20 0.37
▸ LGALS1 P09382 1/20 0.37
▸ LGALS9 O00182 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTN P21246 1/20 0.34
▸ MDK P21741 1/20 0.34
▸ BDNF P23560 1/20 0.34

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
SCHEMBL19325099 0.87 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL18936352 0.87 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL20290392 0.86 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL20122304 0.85 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL16269841 0.85 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL22472735 0.85 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL18737220 0.85 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL21316642 0.85 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL12580633 0.83 ALDH1A1 (0.52) LGALS3LGALS8LGALS4MAPK1ALDH1A1
SCHEMBL12580409 0.83 LGALS3 (0.40) LGALS3LGALS8LGALS4MAPK1ALDH1A1

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-9833404-B2 Topical skin compositions for treating wrinkles MARY KAY INC. (US) 2017-12-05 — — US disclosed
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