SCHEMBL17091718

SCHEMBL17091718

C=C(C)C(=O)OC[C@H]1OC(OC)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ PRKD3 O94806 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ PRKCH P24723 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCZ Q05513 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ PRKD1 Q15139 1/20 0.42
▸ G6PD P11413 4/20 0.42
▸ TLR4 O00206 1/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 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
SCHEMBL16744083 0.88 ALDH1A1 (0.43) ALDH1A1G6PDLGALS8
SCHEMBL22452303 0.84 TLR4 (0.45) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL13752014 0.84 PRKD3 (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL17253655 0.84 PRKD3 (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL28205738 0.84 PRKD3 (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL12038195 0.84 PRKD3 (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL14175697 0.84 PRKD3 (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2320839 0.84 PRKD3 (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7146273 0.84 PRKD3 (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7150078 0.84 PRKD3 (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH

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
EP-1927882-B1 Contact lens NOVARTIS AG (CH) 2015-09-23 — — EP claimed
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