SCHEMBL19953569

SCHEMBL19953569

OC(=Cc1ccccc1)c1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
MAPT P10636 5/20 0.50
BCHE P06276 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 6/20 0.48
HPGD P15428 6/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HMGB1 P09429 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP3A4 P08684 1/20 0.46
TRPA1 O75762 1/20 0.43

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
SCHEMBL1647472 0.85 ALDH1A1 (0.44) MAOBALDH1A1CYP3A4MEN1KMT2A
SCHEMBL30495367 0.78 MAPT (0.47) MAOBMAPTBCHECYP2C19KDM4E
SCHEMBL10973737 0.78 MAPT (0.47) MAOBMAPTBCHECYP2C19KDM4E
SCHEMBL11203024 0.78 MAPT (0.47) MAOBMAPTBCHECYP2C19KDM4E
SCHEMBL18109191 0.77 CA2 (0.44) MAOBMAPTBCHECYP2C19KDM4E
SCHEMBL1073512 0.77 MAPT (0.55) MAOBMAPTBCHECYP2C19KDM4E
SCHEMBL3771825 0.77 ESR1 (0.57) MAOBMAPTBCHECYP2C19KDM4E
SCHEMBL8581308 0.76 HPGD (0.52) MAOBMAPTBCHECYP2C19KDM4E
SCHEMBL8581311 0.76 HPGD (0.52) MAOBMAPTBCHECYP2C19KDM4E
SCHEMBL28994292 0.75 AKR1C1 (0.60) MAOBMAPTBCHECYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018115355-A1 PROCESS FOR TREATING KERATIN FIBRES USING POLYPHENOLS, ALDEHYDES AND/OR SUGARS, HYDROXIDES AND/OR (HYDROGEN) CARBONATES AND PARTICULAR METAL SALTS L'OREAL (FR) 2018-06-28 WO disclosed
WO-2018046518-A1 PROCESS FOR TREATING KERATIN FIBRES, USING ONE OR MORE ORTHO-DIHYDROXY-1,2-DIPHENYLETHYLENE DERIVATIVES, ADDITIONAL POLYPHENOLS AND (HYDROGEN) CARBONATES L'OREAL (FR) 2018-03-15 WO disclosed
WO-2018046531-A1 PROCESS FOR TREATING KERATIN FIBRES, USING ORTHO-DIHYDROXY-1,2-DIPHENYLETHYLENE DERIVATIVES, (HYDROGEN) CARBONATES AND PARTICULAR METAL SALTS L'OREAL (FR) 2018-03-15 WO disclosed
WO-2018046518-A1 PROCESS FOR TREATING KERATIN FIBRES, USING ONE OR MORE ORTHO-DIHYDROXY-1,2-DIPHENYLETHYLENE DERIVATIVES, ADDITIONAL POLYPHENOLS AND (HYDROGEN) CARBONATES L'OREAL (FR) 2018-03-15 WO disclosed