SCHEMBL30537745

SCHEMBL30537745

CC(C)CCCCCCOCC(O)CNCCN

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR2 O60603 6/20 0.36
LPAR5 Q9H1C0 1/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SPHK1 Q9NYA1 2/20 0.33
SPHK2 Q9NRA0 1/20 0.33
CASR P41180 1/20 0.32
PLA2G2C Q5R387 1/20 0.32

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
SCHEMBL30537746 1.00 HTT (0.45) HTTKDM4EUSP2CYP1A2CYP3A4
SCHEMBL30537744 1.00 HTT (0.45) HTTKDM4EUSP2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11223698 0.89 KDM4E (0.41) HTTKDM4EUSP2CYP1A2CYP3A4
SCHEMBL1885916 0.88 USP2 (0.42) HTTKDM4EUSP2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11223703 0.85 HTT (0.42) HTTKDM4EUSP2CYP1A2CYP3A4
SCHEMBL11223752 0.84 HTT (0.65) HTTKDM4EUSP2CYP1A2CYP3A4
SCHEMBL11231700 0.84 HTT (0.65) HTTKDM4EUSP2CYP1A2CYP3A4
SCHEMBL11238943 0.84 HTT (0.65) HTTKDM4EUSP2CYP1A2CYP3A4
SCHEMBL11230752 0.84 HTT (0.65) HTTKDM4EUSP2CYP1A2CYP3A4
SCHEMBL11236320 0.84 HTT (0.65) HTTKDM4EUSP2CYP1A2CYP3A4

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 2 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