SCHEMBL28213352

SCHEMBL28213352

CCCCCOC(Cl)CC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.45
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LPAR1 Q92633 4/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR2 Q9HBW0 1/20 0.34
THRB P10828 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL8113079 0.92
Trimethylammonium SCHEMBL10884276 0.91 DNM1 (0.44) DNM1LPAR1LPAR3LPAR2THRB
Trimethylammonium SCHEMBL2033085 0.91 DNM1 (0.44) DNM1LPAR1LPAR3LPAR2THRB
Trimethylammonium SCHEMBL1797831 0.91 DNM1 (0.44) DNM1LPAR1LPAR3LPAR2THRB
SCHEMBL27479414 0.83 DNM1 (0.43) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL27808679 0.83 DNM1 (0.43) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL5967899 0.81
SCHEMBL9865981 0.81 DNM1 (0.47) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL27478603 0.81 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2THRB
SCHEMBL9339607 0.81 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2THRB

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-108158833-A Cosmetic composition comprising specific zinc salt and amino silicone 莱雅公司 2018-06-15 CN disclosed