SCHEMBL19749908

SCHEMBL19749908

CCC(CC)OC1C(C(=O)O)OC(OC2C(NC(C)=O)C(C(CC)CC)OC(CO)[C@H]2O)C(O)C1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ LGALS3 P17931 3/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ LGALS4 P56470 1/20 0.40
▸ MDK P21741 3/20 0.38
▸ BDNF P23560 3/20 0.38
▸ PTN P21246 2/20 0.38
▸ CD69 Q07108 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHIA Q9BZP6 1/20 0.36
▸ MAG P20916 1/20 0.35
▸ FGF1 P05230 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
SCHEMBL20662400 1.00 ALDH1A1 (0.44) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL18088855 0.90 ALDH1A1 (0.43) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL26245508 0.88 BDNF (0.52) ALDH1A1THRBMAPK1MDKBDNF
SCHEMBL21316636 0.86 ALDH1A1 (0.42) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL23805518 0.86 ALDH1A1 (0.39) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL23805487 0.85 ALDH1A1 (0.39) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL26473755 0.85 ALDH1A1 (0.47) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL20235169 0.84 MAPK1 (0.49) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL17742330 0.84 ALDH1A1 (0.53) ALDH1A1THRBMAPK1LGALS3LGALS8
SCHEMBL19833209 0.84 ALDH1A1 (0.46) ALDH1A1THRBMAPK1LGALS3LGALS8

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-9849073-B2 Deuterium-enriched hyaluronan DEUTERIA BIOMATERIALS, LLC (US) 2017-12-26 — — US disclosed
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