SCHEMBL28047732

SCHEMBL28047732

CC(C)[C@H](NCc1c(O)cc(O)cc1O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ADAMTS4 O75173 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEP1B Q16820 2/20 0.37
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35

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
SCHEMBL28047824 0.83 CD274 (0.41) TYR
SCHEMBL11374972 0.71 MAPK1 (0.39) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL8349459 0.70 ALDH1A1 (0.62) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL8065362 0.70 ALDH1A1 (0.62) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL29060375 0.70 ALDH1A1 (0.62) ITGB3ITGB1ITGAVITGA5ALDH1A1
Hydrochloric Acid SCHEMBL28019583 0.69 ALDH1A1 (0.60) ITGB3ITGB1ITGAVITGA5ALDH1A1
SCHEMBL14520629 0.68 ITGB3 (0.52) ITGB3ITGB1ITGAVITGA5ADAMTS4
SCHEMBL12572489 0.68 ITGB3 (0.52) ITGB3ITGB1ITGAVITGA5ADAMTS4
SCHEMBL4622349 0.67 SMN1; SMN2 (0.46) ALDH1A1MAPK1
SCHEMBL29664208 0.67 ITGB1 (0.71) ITGB3ITGB1ITGAVITGA5ADAMTS4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189446-A Phloroglucinol derivatives and application thereof in treatment of neurodegenerative disorder INST MATERIA MEDICA CAMS 2015-12-23 CN claimed
CN-105189446-A Phloroglucinol derivatives and application thereof in treatment of neurodegenerative disorder INST MATERIA MEDICA CAMS 2015-12-23 CN disclosed