SCHEMBL16347692

SCHEMBL16347692

[CH2]CCCCC(=O)CC(O)CCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.56
FFAR4 Q5NUL3 2/20 0.54
FFAR1 O14842 2/20 0.54
TRPV1 Q8NER1 1/20 0.51
FAAH O00519 2/20 0.45
CYP3A4 P08684 3/20 0.45
HTR1A P08908 2/20 0.45
CYP2C8 P10632 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2A6 P11509 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2B6 P20813 2/20 0.45
CYP2C19 P33261 2/20 0.45
LTA4H P09960 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL2359965 1.00 GPR84 (0.56) GPR84FFAR4FFAR1TRPV1FAAH
SCHEMBL6065848 1.00 GPR84 (0.56) GPR84FFAR4FFAR1TRPV1FAAH
SCHEMBL16347697 0.98 GPR84 (0.53) GPR84FFAR4FFAR1TRPV1FAAH
SCHEMBL9449753 0.91 GPR84 (0.66) GPR84FFAR4FFAR1TRPV1FAAH
SCHEMBL8817418 0.91 GPR84 (0.66) GPR84FFAR4FFAR1TRPV1FAAH
SCHEMBL27971801 0.86 GPR84 (0.57) GPR84FFAR4FFAR1TRPV1FAAH
SCHEMBL23728247 0.82 GPR84 (0.63) GPR84FFAR4FFAR1TRPV1FAAH
SCHEMBL23728329 0.82 GPR84 (0.63) GPR84FFAR4FFAR1TRPV1FAAH
SCHEMBL28860289 0.82 GPR84 (0.63) GPR84FFAR4FFAR1TRPV1FAAH
SCHEMBL28173821 0.82 GPR84 (0.63) GPR84FFAR4FFAR1TRPV1FAAH

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
EP-3017051-B1 METHOD FOR THE ENZYMATIC PRODUCTION OF 3-BUTEN-2-ONE SCIENTIST OF FORTUNE SA (LU) 2021-06-30 EP disclosed
US-10676765-B2 Methods for producing 3-hydroxy-3-methylbutyric acid GLOBAL BIOENERGIES (FR) 2020-06-09 US disclosed
US-9850504-B2 Method for the enzymatic production of 3-buten-2-one Scientist of Fortune, S.A. (LU) 2017-12-26 US disclosed
US-20170253896-A1 METHODS FOR PRODUCING 3-HYDROXY-3-METHYLBUTYRIC ACID GLOBAL BIOENERGIES (FR) 2017-09-07 US disclosed
EP-3194605-A1 METHODS FOR PRODUCING 3-HYDROXY-3-METHYLBUTYRIC ACID Global Bioenergies (FR) 2017-07-26 EP disclosed
US-20160369306-A1 METHOD FOR THE ENZYMATIC PRODUCTION OF 3-BUTEN-2-ONE GLOBAL BIOENERGIES (FR) 2016-12-22 US disclosed
WO-2016097293-A1 PROCESS FOR THE ENZYMATIC PRODUCTION OF 1-BUTENE FROM 2-PENTENOYL-COA GLOBAL BIOENERGIES (FR) 2016-06-23 WO disclosed
WO-2016097289-A1 ENZYMATIC PRODUCTION OF ACRYLYL-COA OR ETHYLENE FROM GLYCEROL GLOBAL BIOENERGIES (FR) 2016-06-23 WO disclosed
EP-3017051-A2 METHOD FOR THE ENZYMATIC PRODUCTION OF 3-BUTEN-2-ONE Scientist of Fortune S.A. (LU) 2016-05-11 EP disclosed
WO-2016042012-A1 METHODS FOR PRODUCING 3-HYDROXY-3-METHYLBUTYRIC ACID GLOBAL BIOENERGIES (FR) 2016-03-24 WO disclosed
WO-2015000981-A2 METHOD FOR THE ENZYMATIC PRODUCTION OF 3-BUTEN-2-ONE SCIENTIST OF FORTUNE S.A. (LU) 2015-01-08 WO disclosed