SCHEMBL18854302

SCHEMBL18854302

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MMP9 P14780 1/20 0.30
▸ MMP12 P39900 1/20 0.30

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
SCHEMBL23901029 0.86 MAPK1 (0.42) MAPK1ALDH1A1THRB
SCHEMBL18854317 0.86 ALDH1A1 (0.35) MAPK1ALDH1A1THRB
SCHEMBL18854311 0.85 MAPK1 (0.33) MAPK1ALDH1A1THRB
SCHEMBL24453808 0.84 LMNA (0.41) MAPK1ALDH1A1THRBMMP9MMP12
SCHEMBL16392993 0.81 MAPK1 (0.33) MAPK1ALDH1A1THRB
SCHEMBL18854312 0.80 MAPK1 (0.32) MAPK1ALDH1A1THRB
SCHEMBL18854315 0.79 NEU3 (0.32) MAPK1
SCHEMBL24454404 0.78 MAPK1 (0.39) MAPK1ALDH1A1THRBMMP9MMP12
SCHEMBL23603141 0.78 MAPK1 (0.52) MAPK1ALDH1A1THRB
SCHEMBL21077729 0.78 MAPK1 (0.52) MAPK1ALDH1A1THRB

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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