SCHEMBL7548952

SCHEMBL7548952

CC[N+](CC)(CC)C1CCCCC1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2D6 P10635 1/20 0.36
CHRNA7 P36544 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7546938 0.80 CHRNA7 (0.35) PKMCTDSP1CHRNA7CHRNB4CHRNA3
SCHEMBL8570659 0.77 ALDH1A1 (0.39) PKMCTDSP1CHRM2CHRM1KCNH2
SCHEMBL8569478 0.77 ALDH1A1 (0.39) PKMCTDSP1CHRM2CHRM1KCNH2
SCHEMBL3186540 0.77 SHBG (0.36)
SCHEMBL4389309 0.75 EPHX2 (0.35) L3MBTL1ALDH1A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL6364620 0.74 SHBG (0.35)
Bromide SCHEMBL5393945 0.74 SHBG (0.35)
Water SCHEMBL3186572 0.74 SHBG (0.35)
Iodide SCHEMBL20875137 0.74 SHBG (0.35)
SCHEMBL16594155 0.74 SHBG (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 EP disclosed