SCHEMBL18854303

SCHEMBL18854303

CC(=O)N[C@H]1C(C)O[C@H](CN)[C@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CD69 Q07108 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ OGA O60502 1/20 0.34
▸ FUCA1 P04066 1/20 0.33
▸ MMP12 P39900 1/20 0.33

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
SCHEMBL12899987 0.95 ALDH1A1 (0.37) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL24453797 0.89 ALDH1A1 (0.35) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL9914010 0.85 ALDH1A1 (0.56) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL20626631 0.85 ALDH1A1 (0.56) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL16076955 0.85 ALDH1A1 (0.56) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL12337162 0.85 ALDH1A1 (0.56) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL13541601 0.85 ALDH1A1 (0.56) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL12733141 0.85 ALDH1A1 (0.56) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL15616403 0.85 ALDH1A1 (0.56) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL13498558 0.85 ALDH1A1 (0.56) ALDH1A1THRBMAPK1CA1CA2

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-20170137801-A1 TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-05-18 — — US disclosed
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