SCHEMBL28534064

SCHEMBL28534064

OCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.74
HTR1A P08908 5/20 0.67
HTR2A P28223 5/20 0.67
HTR2B P41595 4/20 0.67
CYP2D6 P10635 4/20 0.67
HTR1D P28221 4/20 0.67
CYP2C9 P11712 3/20 0.67
TSHR P16473 3/20 0.67
CYP1A2 P05177 3/20 0.67
CYP3A4 P08684 3/20 0.67
HTR1B P28222 2/20 0.67
HTR7 P34969 2/20 0.67
HTR3E A5X5Y0 1/20 0.67
HTR3B O95264 1/20 0.67
DRD1 P21728 1/20 0.67
HTR1E P28566 1/20 0.67
HTR1F P30939 1/20 0.67
DRD3 P35462 1/20 0.67
RECQL P46063 1/20 0.67
HTR3A P46098 1/20 0.67

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
SCHEMBL5424801 0.86 HTR2C (0.71) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL233744 0.85 HTR2C (1.00) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL29351067 0.85 HTR2C (1.00) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL2000360 0.83 HTR2C (0.75) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL1516146 0.83 HTR2C (0.67) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL266613 0.83 NPSR1 (0.68) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL7002494 0.83 HTR2C (0.77) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL26473205 0.83 HTR2C (0.67) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL18618253 0.80 HTR2C (0.73) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL10871259 0.80 HTR2C (0.73) HTR2CHTR1AHTR2AHTR2BCYP2D6

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
CN-112367960-A Scalp care compositions with uniformly dispersed particulate scalp benefit agents 宝洁公司 2021-02-12 CN disclosed