SCHEMBL28110533

SCHEMBL28110533

CC(C)c1cccc([C@H](C)C2CC2)c1OCOP(=O)(OCCC(C)(C)C(=O)O)OCOC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 2/20 0.33
ALDH1A1 P00352 1/20 0.31
PPARA Q07869 2/20 0.31

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
SCHEMBL28110532 0.91 ALDH1A1 (0.36) ENO1ALDH1A1
SCHEMBL17537139 0.91 ALDH1A1 (0.36) ENO1ALDH1A1
SCHEMBL17579176 0.83 ENO1 (0.32) ENO1ALDH1A1
SCHEMBL17537141 0.83 SCN5A (0.34)
SCHEMBL17579179 0.82 ENO1 (0.32) ENO1ALDH1A1
SCHEMBL17537142 0.82 TSHR (0.38) PPARA
SCHEMBL17537079 0.80 ALOX15 (0.36) ALDH1A1
SCHEMBL17537221 0.78 SCN5A (0.34) ALDH1A1
SCHEMBL17537158 0.76 ELANE (0.31)
SCHEMBL17537220 0.76 ELANE (0.31)

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
CN-104507899-B Phenol derivative, preparation method and medical application thereof 四川海思科制药有限公司 2016-11-30 CN disclosed