SCHEMBL2823398

SCHEMBL2823398

O=C(O)C(O)(CO)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.43
ESR2 Q92731 7/20 0.43
CYP3A4 P08684 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KIF11 P52732 2/20 0.40
BLM P54132 3/20 0.39
CA2 P00918 2/20 0.39
CAMK2A Q9UQM7 1/20 0.39
TYR P14679 2/20 0.38
LMNA P02545 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38
ESRRG P62508 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 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
SCHEMBL1420815 0.85 CYP1A2 (0.48) ALDH1A1KIF11LMNATSHRHIF1A
Bicarbonate SCHEMBL31621220 0.83 CYP1A2 (0.46) ALDH1A1KIF11LMNATSHRHIF1A
Ammonia Solution, Strong SCHEMBL31621219 0.83 CYP1A2 (0.46) ALDH1A1KIF11LMNATSHRHIF1A
SCHEMBL28038488 0.82 ESR1 (0.46) ESR1ESR2CYP3A4ALDH1A1KIF11
SCHEMBL17963709 0.77 ALDH1A1 (0.46) ALDH1A1KIF11CA2LMNAHSD17B10
SCHEMBL17938789 0.77 ESR1 (0.42) ESR1ESR2CYP3A4ALDH1A1KIF11
SCHEMBL29074082 0.73 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1BLM
SCHEMBL4220470 0.73 ESR1 (0.44) ESR1ESR2CYP3A4ALDH1A1KIF11
SCHEMBL9153305 0.73 ESR1 (0.44) ESR1ESR2CYP3A4ALDH1A1KIF11
SCHEMBL4206889 0.70 CA2 (0.48) ESR1ESR2CYP3A4ALDH1A1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314490-B2 Biological effects of compositions of rosmarinic acid NESTEC S.A. (CH) 2016-04-19 US claimed
US-8932579-B2 Biological effects of compositions comprising rosmarinic acid NESTEC S.A. (CH) 2015-01-13 US claimed
US-20140023625-A1 BIOLOGICAL EFFECTS OF COMPOSITIONS OF ROSMARINIC ACID L'ORÉAL (FR) 2014-01-23 US claimed
EP-2081566-B1 IMPROVED BIOLOGICAL EFFECTS OF COMPOSITIONS COMPRISING ROSMARINIC ACID NESTEC SA (CH) 2010-03-24 EP claimed
CN-101485648-A Application of 3,4-dihydroxy-phenyl-lactic acid in preparing medicament for treating microcirculatory disturbance TIANJIN TASLY PHARMACEUTICAL (CN) 2009-07-22 CN claimed
EP-1917960-A1 Improved biological effects of rosmarinic acid NESTEC S.A. (CH) 2008-05-07 EP claimed
CN-114836343-A Lactobacillus plantarum P10 and application thereof 河北科技大学 2022-08-02 CN disclosed
CN-111876447-B Strain and method for producing rosmarinic acid 陕西鸿道生物分析科学技术研究院有限公司 2022-04-01 CN disclosed
CN-111876447-A Strain and method for producing rosmarinic acid 陕西鸿道生物分析科学技术研究院有限公司 2020-11-03 CN disclosed
US-9314490-B2 Biological effects of compositions of rosmarinic acid NESTEC S.A. (CH) 2016-04-19 US disclosed
US-20140023625-A1 BIOLOGICAL EFFECTS OF COMPOSITIONS OF ROSMARINIC ACID L'ORÉAL (FR) 2014-01-23 US disclosed
EP-2081566-B1 IMPROVED BIOLOGICAL EFFECTS OF COMPOSITIONS COMPRISING ROSMARINIC ACID NESTEC SA (CH) 2010-03-24 EP disclosed
EP-2081566-A1 IMPROVED BIOLOGICAL EFFECTS OF COMPOSITIONS COMPRISING ROSMARINIC ACID NESTEC S.A. (CH) 2009-07-29 EP disclosed
CN-101485648-A Application of 3,4-dihydroxy-phenyl-lactic acid in preparing medicament for treating microcirculatory disturbance TIANJIN TASLY PHARMACEUTICAL (CN) 2009-07-22 CN disclosed
WO-2008055651-A1 IMPROVED BIOLOGICAL EFFECTS OF COMPOSITIONS COMPRISING ROSMARINIC ACID NESTEC S.A. (CH) 2008-05-15 WO disclosed
EP-1917960-A1 Improved biological effects of rosmarinic acid NESTEC S.A. (CH) 2008-05-07 EP disclosed