SCHEMBL29913698

SCHEMBL29913698

O=C(O)[C@H](Cc1ccc(O)c(O)c1)N(O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.62
KDM4E B2RXH2 7/20 0.60
HSD17B10 Q99714 6/20 0.60
TDP1 Q9NUW8 6/20 0.60
ALOX15 P16050 5/20 0.60
RECQL P46063 5/20 0.60
HIF1A Q16665 4/20 0.60
USP2 O75604 3/20 0.60
LCK P06239 3/20 0.60
ADORA3 P0DMS8 2/20 0.60
HTR2A P28223 2/20 0.60
PTGS2 P35354 2/20 0.60
FYN P06241 2/20 0.60
SLC7A5 Q01650 2/20 0.60
EGFR P00533 2/20 0.60
PTGS1 P23219 1/20 0.60
PLA2G1B P04054 1/20 0.52
HPGD P15428 5/20 0.50
MAPT P10636 5/20 0.50
POLB P06746 4/20 0.50

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
Levodopa SCHEMBL20637809 0.86 SLC7A5 (0.69) KDM6BKDM4EHSD17B10TDP1ALOX15
Levodopa SCHEMBL170258 0.86 SLC7A5 (0.69) KDM6BKDM4EHSD17B10TDP1ALOX15
Levodopa SCHEMBL20637810 0.86 SLC7A5 (0.69) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL31746120 0.85 KDM4E (0.63) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL29794141 0.85 KDM6B (0.60) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL471986 0.85 KDM6B (0.60) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL30130608 0.85 KDM6B (0.60) KDM6BKDM4EHSD17B10TDP1ALOX15
Dopamine SCHEMBL27958265 0.83 KDM4E (0.54) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL11664157 0.82 KDM4E (0.59) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL30302031 0.81 KDM6B (0.55) KDM6BKDM4EHSD17B10TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820374-A DOPO-based Schiff base derivative halogen-free flame retardant, and preparation method and application thereof 浙江理工大学 2024-04-05 CN claimed
CN-118714935-A Lymphoreleased fatty acid compositions and their use for lymphatic incorporation and systemic disease treatment 阿马里纳药物爱尔兰有限公司 2024-09-27 CN disclosed
CN-117820374-A DOPO-based Schiff base derivative halogen-free flame retardant, and preparation method and application thereof 浙江理工大学 2024-04-05 CN disclosed
EP-4329492-A1 ANTIMICROBIAL AGENTS AND FILMS MADE THEREFROM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2024-03-06 EP disclosed
CN-116948163-B Dihydroxyl DOPO halogen-free flame-retardant polyether polyol, and preparation method and application thereof 山东一诺威新材料有限公司 2023-12-29 CN disclosed
CN-116948163-A Dihydroxyl DOPO halogen-free flame-retardant polyether polyol, and preparation method and application thereof 山东一诺威新材料有限公司 2023-10-27 CN disclosed
WO-2022229951-A1 ANTIMICROBIAL AGENTS AND FILMS MADE THEREFROM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2022-11-03 WO disclosed