SCHEMBL21130706

SCHEMBL21130706

O=c1cc(O)c2c(c3ccccc13)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
HPGD P15428 6/20 0.41
MAPT P10636 5/20 0.41
ALOX15 P16050 5/20 0.41
CYP3A4 P08684 5/20 0.41
HSD17B10 Q99714 4/20 0.41
TP53 P04637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX12 P18054 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2D6 P10635 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
CYP19A1 P11511 3/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL2187057 0.75 TRPM4 (0.56) KDM4EHPGDMAPTHSD17B10MEN1
SCHEMBL5555424 0.69 GPR84 (0.41) KDM4EHPGDMAPTALOX15CYP3A4
SCHEMBL29975451 0.67 KDM4E (0.39) KDM4EHPGDMAPTALOX15CYP3A4
SCHEMBL25132403 0.63
SCHEMBL2639080 0.63 DAO (0.61) KDM4EHPGDMAPTHSD17B10TP53
SCHEMBL6468003 0.63 KDM4E (0.53) KDM4EHPGDMAPTALOX15CYP3A4
SCHEMBL29658219 0.63 KDM4E (0.40) KDM4EHPGDMAPTCYP3A4HSD17B10
SCHEMBL10524061 0.62 HTT (0.41) KDM4EMAPTHSD17B10TP53MEN1
SCHEMBL29966031 0.61 KDM4E (0.59) KDM4EHPGDMAPTALOX15CYP3A4
SCHEMBL1961365 0.61 KDM4E (0.59) KDM4EHPGDMAPTALOX15CYP3A4

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
WO-2019115651-A1 EXTRACT OF THE AERIAL PARTS OF LAWSONIA INERMIS AND ITS PREPARATION METHOD PIERRE FABRE DERMO-COSMETIQUE (FR) 2019-06-20 WO disclosed