SCHEMBL20164913

SCHEMBL20164913

Cc1c(Cl)ccc(O)c1Cc1ccccc1.Cc1cc(O)c(Cc2ccccc2)c(C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 4/20 0.40
GAA P10253 4/20 0.40
GLA P06280 2/20 0.40
HSD17B3 P37058 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX5 P09917 2/20 0.40
SHBG P04278 1/20 0.39
IDH1 O75874 1/20 0.38
POLB P06746 2/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL1550879 0.91 ALOX5 (0.46) MEN1KMT2AHPGDHSD17B10CYP3A4
SCHEMBL560333 0.88 MEN1 (0.46) MEN1KMT2AHPGDHSD17B10CYP3A4
Parachlorophenol SCHEMBL6914323 0.81 MEN1 (0.47) MEN1KMT2AHPGDHSD17B10CYP3A4
Clorophene SCHEMBL8335308 0.80 MEN1 (0.70) MEN1KMT2AHPGDHSD17B10CYP3A4
SCHEMBL4543651 0.78 BCL2 (0.48) HPGDALOX15KDM4EGAAMAPT
SCHEMBL10628131 0.77 KDM4E (0.48) MEN1KMT2AHPGDHSD17B10CYP3A4
Chlorocresol SCHEMBL15718186 0.77 BCL2 (0.42) HPGDALOX15KDM4EALDH1A1ALOX5
SCHEMBL69778 0.77 MAPT (0.53) MEN1KMT2AHPGDHSD17B10CYP3A4
SCHEMBL11119196 0.76 KDM4E (0.47) KDM4EGAAGLAHSD17B3NPSR1
SCHEMBL1253791 0.76 BCL2 (0.46) KDM4EGAAGLAHSD17B3NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857653-B2 Method of providing an oral care benefit using a poorly-soluble calcium compound and fluoride JOHNSON & JOHNSON CONSUMER INC. (US) 2024-01-02 US disclosed
US-20220331222-A1 Method of Providing Oral Care Benefits KENVUE BRANDS LLC 2022-10-20 US disclosed
US-11351103-B2 Method of providing oral care benefits JOHNSON & JOHNSON CONSUMER INC. (US) 2022-06-07 US disclosed
US-20200188245-A1 Method of Providing an Oral Care Benefit using a Poorly-soluble Calcium Compound and Fluoride KENVUE BRANDS LLC 2020-06-18 US disclosed
US-20180140521-A1 Method of Providing Oral Care Benefits KENVUE BRANDS LLC 2018-05-24 US disclosed