SCHEMBL18037005

SCHEMBL18037005

NC(=O)c1ccccc1C=C(O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.46
BCAT2 O15382 1/20 0.46
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
MAPT P10636 4/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 2/20 0.45
METAP2 P50579 1/20 0.42
LMNA P02545 2/20 0.42
SIRT1 Q96EB6 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40
PARP1 P09874 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL4452379 0.78 CA2 (0.53) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL8579469 0.77 ALDH1A1 (0.54) CTNNB1BCAT2ALDH1A1KDM4EHPGD
SCHEMBL1415250 0.77 ALDH1A1 (0.54) CTNNB1BCAT2ALDH1A1KDM4EHPGD
SCHEMBL5445179 0.76 BCAT2 (0.48) CTNNB1BCAT2ALDH1A1KDM4EHPGD
SCHEMBL4596579 0.75 ALDH1A1 (0.52) CTNNB1BCAT2ALDH1A1KDM4EHPGD
SCHEMBL1003855 0.75 TRIM24 (0.54) CTNNB1BCAT2ALDH1A1KDM4EHPGD
SCHEMBL1515606 0.75 ALDH1A1 (0.52) CTNNB1BCAT2ALDH1A1KDM4EHPGD
SCHEMBL770829 0.74 BCAT2 (0.52) CTNNB1BCAT2ALDH1A1KDM4EHPGD
SCHEMBL1004375 0.74 ALDH1A1 (0.50) CTNNB1BCAT2ALDH1A1KDM4EHPGD
SCHEMBL1829025 0.74 ALDH1A1 (0.50) CTNNB1BCAT2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358651-B2 Modified plants and methods for producing modified lignin by modulating expression of acyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-23 US disclosed
US-20160251672-A1 Modified plants and methods for producing modified lignin by modulating expression of acyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-01 US disclosed