SCHEMBL16440559

SCHEMBL16440559

CO[C@@H]1OC(COCC(=O)O)[C@H](O)C(O)[C@@H]1NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ MMP9 P14780 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ LGALS3 P17931 3/20 0.41
▸ CD69 Q07108 1/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL27497507 0.85 MAPK1 (0.48) ALDH1A1THRBMAPK1LGALS3CD69
SCHEMBL7154249 0.85 ALDH1A1 (0.51) ALDH1A1THRBMAPK1MMP9MMP12
SCHEMBL7154253 0.85 ALDH1A1 (0.51) ALDH1A1THRBMAPK1MMP9MMP12
SCHEMBL15281736 0.85 ALDH1A1 (0.51) ALDH1A1THRBMAPK1MMP9MMP12
SCHEMBL25977602 0.82 ALDH1A1 (0.44) ALDH1A1THRBMAPK1MMP9MMP12
SCHEMBL21769310 0.82 G6PD (0.43) CA2CA9CA1
SCHEMBL23095170 0.82 MAPK1 (0.50) ALDH1A1THRBMAPK1LGALS3CD69
SCHEMBL23386630 0.80 ALDH1A1 (0.56) ALDH1A1THRBMAPK1MMP9MMP12
SCHEMBL24943853 0.80 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9
SCHEMBL23705217 0.80 ALDH1A1 (0.67) ALDH1A1THRBMAPK1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555395-B2 Chemically modified mycological materials having absorbent properties ECOVATIVE DESIGN LLC (US) 2017-01-31 — — US disclosed
US-9555395-B2 Chemically modified mycological materials having absorbent properties ECOVATIVE DESIGN LLC (US) 2017-01-31 — — US disclosed
US-20150038326-A1 Chemically Modified Mycological Materials Having Absorbent Properties ECOVATIVE LLC 2015-02-05 — — US disclosed
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