SCHEMBL14045016

SCHEMBL14045016

CC1Oc2cc(O)cc(O)c2C(=O)C1c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBS P35520 1/20 0.55
CYP3A4 P08684 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP19A1 P11511 3/20 0.53
CYP1A2 P05177 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ALOX12 P18054 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
CA12 O43570 2/20 0.53
SLCO2B1 O94956 2/20 0.53
CYP1A1 P04798 2/20 0.53
CA4 P22748 2/20 0.53
PSMB5 P28074 2/20 0.53
CYP2C19 P33261 2/20 0.53
CA7 P43166 2/20 0.53
CYP1B1 Q16678 2/20 0.53
TTR P02766 1/20 0.53

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
SCHEMBL3445021 0.84 RECQL (0.56) CBSCYP3A4MEN1KMT2ACYP19A1
SCHEMBL17867434 0.81 CBS (0.67) CBSCYP3A4MEN1KMT2ACYP19A1
SCHEMBL14045015 0.79 ESR1 (0.71) CYP19A1ESR1ESR2PSMB5TTR
SCHEMBL24183884 0.77 SOST (0.60) CBSCYP3A4MEN1KMT2ACYP1A2
Chamaejasmin SCHEMBL27478340 0.77 CBS (0.81) CBSCYP3A4MEN1KMT2ACYP19A1
Chamaejasmin SCHEMBL6354453 0.77 CBS (0.81) CBSCYP3A4MEN1KMT2ACYP19A1
Chamaejasmin SCHEMBL29479818 0.77 CBS (0.81) CBSCYP3A4MEN1KMT2ACYP19A1
Chamaejasmin SCHEMBL29369743 0.77 CBS (0.81) CBSCYP3A4MEN1KMT2ACYP19A1
Dihydrokaempferol SCHEMBL39319 0.75 CYP3A4 (0.80) CBSCYP3A4MEN1KMT2ACYP19A1
Dihydrokaempferol SCHEMBL31026899 0.75 CYP3A4 (0.80) CBSCYP3A4MEN1KMT2ACYP19A1

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-7432425-B2 Isoflavonoid methylation enzyme THE SAMUEL ROBERTS NOBLE FOUNDATION (US) 2008-10-07 US disclosed