SCHEMBL10477373

SCHEMBL10477373

COc1cc(C)c(/C=C(\NC(C)=O)C(=O)O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
BACE1 P56817 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
PTPRB P23467 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10477436 1.00 HPGD (0.40) HPGDCYP3A4KMT2AMEN1TSHR
SCHEMBL10477418 0.89 MEN1 (0.37) HPGDCYP3A4KMT2AMEN1TSHR
SCHEMBL10477415 0.89 MEN1 (0.37) HPGDCYP3A4KMT2AMEN1TSHR
SCHEMBL10477390 0.88 CYP3A4 (0.40) HPGDCYP3A4KMT2AMEN1TSHR
SCHEMBL10477364 0.87 ALDH1A1 (0.37) HPGDCYP3A4KMT2AMEN1TSHR
SCHEMBL10477359 0.82 MCL1 (0.39) KMT2AMEN1MCL1ALDH1A1POLB
SCHEMBL10477360 0.82 MCL1 (0.39) KMT2AMEN1MCL1ALDH1A1POLB
SCHEMBL10477414 0.79 MEN1 (0.45) KMT2AMEN1MCL1ALDH1A1BACE1
SCHEMBL10477451 0.78 EPHX1 (0.39) HPGDKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL16869910 0.77 KMT2A (0.39) CYP3A4KMT2AMEN1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4879398-A Process for producing 2,6-disubstituted tyrosine MONSANTO COMPANY (US) 1989-11-07 US disclosed