SCHEMBL1419286

SCHEMBL1419286

C=CC(OC(C)=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ELANE P08246 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
GLA P06280 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL299826 0.85 ELANE (0.42) MTNR1AMTNR1BALDH1A1GAACYP1A2
SCHEMBL5239231 0.85 AKR1C3 (0.47) GAACYP2C9POLBLMNAKMT2A
SCHEMBL299999 0.83 THRB (0.46) MTNR1AMTNR1BALDH1A1GAACYP1A2
SCHEMBL9662590 0.83 PARP10 (0.41) MTNR1AMTNR1BALDH1A1CYP3A4GAA
Acrylic Acid SCHEMBL28795994 0.77 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1CYP3A4GAA
SCHEMBL157054 0.77 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1CYP3A4GAA
SCHEMBL783559 0.76 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1CYP3A4GAA
SCHEMBL9383225 0.76 CA4 (0.41) MTNR1AMTNR1BALDH1A1CYP3A4GAA
SCHEMBL5523158 0.76 ALDH1A1 (0.42) MTNR1AMTNR1BALDH1A1GAACYP1A2
SCHEMBL8824548 0.75 TSHR (0.36) MTNR1AMTNR1BALDH1A1CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297328-B1 Method for producing natural 9-decen-2-one by bioconverting undecylenic acid using a mold V MANE FILS (FR) 2017-03-22 EP disclosed
US-8481789-B2 Method for producing natural 9-decen-2-one by bioconverting undecylenic acid using a mold, and use in the perfume and food flavoring fields Fils, V. Mane (FR) 2013-07-09 US disclosed
US-20110077431-A1 Method for Producing Natural 9 Decen-2-One by Bioconverting Undecylenic Acid Using a Mold, and Use in the Perfume and Food Flavoring Fields V. MANE FILS (FR) 2011-03-31 US disclosed
EP-2297328-A2 METHOD FOR PRODUCING NATURAL 9-DECEN-2-ONE BY BIOCONVERTING UNDECYLENIC ACID USING A MOLD, AND USE IN THE PERFUME AND FOOD FLAVORING FIELDS V. Mane Fils (FR) 2011-03-23 EP disclosed
WO-2009147319-A2 METHOD FOR PRODUCING NATURAL 9-DECEN-2-ONE BY BIOCONVERTING UNDECYLENIC ACID USING A MOLD, AND USE IN THE PERFUME AND FOOD FLAVORING FIELDS V.MANE FILS (FR) 2009-12-10 WO disclosed