SCHEMBL7024673

SCHEMBL7024673

C=CCOC(=O)/C=C/c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.58
NFKB1 P19838 2/20 0.54
JUN P05412 1/20 0.54
NFE2L2 Q16236 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
MAPT P10636 5/20 0.51
LMNA P02545 1/20 0.51
ALOX5 P09917 2/20 0.50
BCHE P06276 1/20 0.49
GUSB P08236 1/20 0.49
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL11820758 0.83 APP (0.50) APPMAPTLMNAALOX5CYP3A4
SCHEMBL19901101 0.82 NFKB1 (0.59) NFKB1JUNNFE2L2CA1CA2
SCHEMBL29614112 0.81 ALOX5 (0.51) APPNFKB1JUNNFE2L2CA1
SCHEMBL3128867 0.81 ALOX5 (0.51) APPNFKB1JUNNFE2L2CA1
SCHEMBL3128878 0.81 ALOX5 (0.51) APPNFKB1JUNNFE2L2CA1
SCHEMBL27577384 0.81 CYP3A4 (0.47) APPNFKB1JUNNFE2L2CA1
SCHEMBL3132306 0.81 MAPT (0.59) NFKB1JUNNFE2L2CA1CA2
SCHEMBL2391128 0.81 MAPT (0.59) NFKB1JUNNFE2L2CA1CA2
SCHEMBL9696985 0.81 HDAC8 (0.52) APPMAPTCYP3A4MAPK1KDM4E
SCHEMBL11043245 0.81 APP (0.48) APPMAPTLMNAALOX5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523459-A OXIDIZING ALPHA-HYDROXYCARBOXYLIC ACID ESTER WITH MOLECULAR OXYGEN IN GASEOUS PHASE IN PRESENCE OF COPPER PHOSPHATE UBE INDUSTRIES, LTD. (JP) 1996-06-04 US claimed
EP-0673914-A2 Preparation of alpha-keto acid ester UBE INDUSTRIES, LTD. (JP) 1995-09-27 EP claimed
EP-4100388-A1 NEW PATHWAY FOR THE SYNTHESIS OF SINAPOYL MALATE, OF SINAPINE AND OF ANALOGUES THEREOF, AND USE THEREOF AS ANTIMICROBIAL MOLECULES Institut des Sciences et Industries du Vivant et de l'Environnement - AgroParisTech (FR) 2022-12-14 EP disclosed
CN-108271383-B Fungal cells and methods for producing very long chain fatty acid derivatives 梅特玛博有限公司 2022-04-19 CN disclosed
WO-2021156578-A1 NEW PATHWAY FOR THE SYNTHESIS OF SINAPOYL MALATE, OF SINAPINE AND OF ANALOGUES THEREOF, AND USE THEREOF AS ANTIMICROBIAL MOLECULES INSTITUT DES SCIENCES ET INDUSTRIES DU VIVANT ET DE L'ENVIRONNEMENT - AGROPARISTECH (FR) 2021-08-12 WO disclosed
EP-3277827-B1 FUNGAL CELLS AND METHODS FOR PRODUCTION OF VERY LONG CHAIN FATTY ACID DERIVED PRODUCTS BIOPETROLIA AB (SE) 2021-03-24 EP disclosed
US-10550413-B2 Fungal cells and methods for production of very long chain fatty acid derived products BIOPETROLIA AB (SE) 2020-02-04 US disclosed
US-20180112240-A1 FUNGAL CELLS AND METHODS FOR PRODUCTION OF VERY LONG CHAIN FATTY ACID DERIVED PRODUCTS MELT&MARBLE AB (SE) 2018-04-26 US disclosed
EP-3277827-A1 FUNGAL CELLS AND METHODS FOR PRODUCTION OF VERY LONG CHAIN FATTY ACID DERIVED PRODUCTS Biopetrolia AB (SE) 2018-02-07 EP disclosed
WO-2016159869-A1 FUNGAL CELLS AND METHODS FOR PRODUCTION OF VERY LONG CHAIN FATTY ACID DERIVED PRODUCTS BIOPETROLIA AB (SE) 2016-10-06 WO disclosed
US-6692797-B1 ACHIEVING ALIGNMENT OF LIQUID CRYSTAL MATERIALS ON A SUBSTRATE SURFACE QINETIQ LIMITED (GB) 2004-02-17 US disclosed
WO-2000055151-A1 PHOTOACTIVE PENTAERYTHRITOL DERIVATIVES AND ORIENTATION LAYERS QINETIQ LIMITED (GB) 2000-09-21 WO disclosed