SCHEMBL11236320

SCHEMBL11236320

CCCCCCCCCCOCC(O)CNCCN

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
USP2 O75604 1/20 0.57
CYP3A4 P08684 2/20 0.49
LPAR5 Q9H1C0 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
TLR2 O60603 6/20 0.48
KDM4E B2RXH2 1/20 0.46
SPHK1 Q9NYA1 1/20 0.44
PLA2G2C Q5R387 2/20 0.42
CASR P41180 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.39
LPAR6 P43657 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR4 Q99677 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39

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
SCHEMBL11239030 1.00 HTT (0.65) HTTUSP2CYP3A4LPAR5CYP1A2
SCHEMBL11238943 1.00 HTT (0.65) HTTUSP2CYP3A4LPAR5CYP1A2
SCHEMBL11223752 1.00 HTT (0.65) HTTUSP2CYP3A4LPAR5CYP1A2
SCHEMBL11230752 1.00 HTT (0.65) HTTUSP2CYP3A4LPAR5CYP1A2
SCHEMBL11231700 1.00 HTT (0.65) HTTUSP2CYP3A4LPAR5CYP1A2
SCHEMBL26135978 0.98 HTT (0.63) HTTUSP2CYP3A4LPAR5CYP1A2
SCHEMBL26136168 0.98 HTT (0.63) HTTUSP2CYP3A4LPAR5CYP1A2
SCHEMBL11023778 0.98 HTT (0.62) HTTUSP2CYP3A4LPAR5CYP1A2
SCHEMBL11232438 0.93 HTT (0.54) HTTUSP2CYP3A4LPAR5CYP1A2
Acetic Acid SCHEMBL28420527 0.92 HTT (0.55) HTTUSP2CYP3A4LPAR5CYP1A2

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-2023180027-A1 NOVEL CATIONIC COLLECTORS FOR IMPROVING A PROCESS FOR FROTH FLOTATION OF SILICATES CLARIANT INTERNATIONAL LTD (CH) 2023-09-28 WO claimed
WO-2023180027-A1 NOVEL CATIONIC COLLECTORS FOR IMPROVING A PROCESS FOR FROTH FLOTATION OF SILICATES CLARIANT INTERNATIONAL LTD (CH) 2023-09-28 WO disclosed
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 EP disclosed