SCHEMBL3355787

SCHEMBL3355787

OC1c2ccccc2OC(O)(O)C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
OPRD1 P41143 1/20 0.37
NR3C1 P04150 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.35
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL26977072 0.84 CYP19A1 (0.42) MAOAMAOBNR3C1ALDH1A1CYP3A4
SCHEMBL2045223 0.70 HSP90AA1 (0.40) LTB4RLTB4R2MAOAMAOBOPRD1
SCHEMBL29722973 0.70 HSP90AA1 (0.40) LTB4RLTB4R2MAOAMAOBOPRD1
SCHEMBL21408674 0.67 KCNE1 (0.51) LTB4RLTB4R2MAOAMAOBKCNE1
SCHEMBL2070162 0.67 CYP3A4 (0.58) LTB4RLTB4R2MAOAMAOBCYP3A4
SCHEMBL170680 0.67 CYP3A4 (0.58) LTB4RLTB4R2MAOAMAOBCYP3A4
SCHEMBL6093233 0.67 CYP3A4 (0.58) LTB4RLTB4R2MAOAMAOBCYP3A4
SCHEMBL14956962 0.67 CYP3A4 (0.58) LTB4RLTB4R2MAOAMAOBCYP3A4
SCHEMBL6093238 0.67 CYP3A4 (0.58) LTB4RLTB4R2MAOAMAOBCYP3A4
SCHEMBL30813009 0.67 CYP3A4 (0.58) LTB4RLTB4R2MAOAMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112494593-A Pure traditional Chinese medicine preparation for resisting respiratory syndrome for poultry 广东高山动物药业有限公司 2021-03-16 CN disclosed
CN-112336815-A Anti-aging composition for strengthening body, preventing cancer and conditioning hypertension, hyperglycemia and hyperlipidemia and application thereof 广东正汇源实业有限公司 2021-02-09 CN disclosed
CN-107601682-B Bacterial microorganism purifying agent in sewage 纪宏 2020-10-27 CN disclosed
CN-107375982-B Air freshener suitable for northern houses 王婧宁 2020-07-03 CN disclosed
CN-107397967-B Air purifying agent capable of effectively solving air pollutants in parking place 王婧宁 2020-07-03 CN disclosed
US-20190391092-A1 METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS) Oregon Institute of Science and Medicine 2019-12-26 US disclosed
CN-102503924-B Flavane (isoflavane) urease inhibitor and synthesis and use thereof UNIV JISHOU 2014-04-02 CN disclosed
CN-102503924-A Flavane (isoflavane) urease inhibitor and synthesis and use thereof UNIV JISHOU 2012-06-20 CN disclosed
WO-2010039679-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2010-04-08 WO disclosed
WO-2005103025-A1 ISOFLAVENE SYNTHETIC METHOD AND CATALYST NOVOGEN RESEARCH PTY LTD (AU) 2005-11-03 WO disclosed
US-20030027772-A1 Composition containing at least one inhibitor of the enzyme 3-beta-HSD L'OREAL (FR) 2003-02-06 US disclosed