SCHEMBL7764338

SCHEMBL7764338

CCCCCCCCCCCCC(NCC)c1ccc(C(CCCCCCCCCCCC)NCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.63
NR1I2 O75469 1/20 0.39
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
XBP1 P17861 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL8720401 1.00 SLC2A1 (0.63) SLC2A1NR1I2LMNAMEN1XBP1
SCHEMBL7766083 1.00 SLC2A1 (0.63) SLC2A1NR1I2LMNAMEN1XBP1
SCHEMBL7760671 1.00 SLC2A1 (0.63) SLC2A1NR1I2LMNAMEN1XBP1
SCHEMBL8724625 1.00 SLC2A1 (0.63) SLC2A1NR1I2LMNAMEN1XBP1
SCHEMBL8720798 1.00 SLC2A1 (0.63) SLC2A1NR1I2LMNAMEN1XBP1
SCHEMBL8722870 1.00 SLC2A1 (0.63) SLC2A1NR1I2LMNAMEN1XBP1
SCHEMBL11264847 0.91 SLC2A1 (0.54) SLC2A1ALDH1A1OPRM1TACR3HTR2A
SCHEMBL19513915 0.91 SLC2A1 (0.54) SLC2A1ALDH1A1OPRM1TACR3HTR2A
SCHEMBL27462652 0.89 SLC2A1 (0.55) SLC2A1ALDH1A1HRH1SIGMAR1TACR3
SCHEMBL8720398 0.85 SLC2A1 (0.49) SLC2A1TSHRTACR3ADRB2

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
EP-0825175-B1 Quaternary ammonium disinfectant NICCA CHEMICAL CO (JP) 2001-06-13 EP disclosed
EP-0825175-A1 Quaternary ammonium disinfectant NICCA CHEMICAL CO., LTD. (JP) 1998-02-25 EP disclosed