SCHEMBL7549478

SCHEMBL7549478

CCCCCN(CCCCC)CCCCC.Nc1ccc(Oc2ccc(N)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.44
CYP1A2 P05177 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
SCN1A P35498 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 5/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7555565 0.96 CTDSP1 (0.44) CTDSP1CYP1A2GAALMNACYP3A4
SCHEMBL7554818 0.86 CTDSP1 (0.48) CTDSP1GAALMNACYP3A4CYP2D6
SCHEMBL7551028 0.86 CTDSP1 (0.41) CTDSP1CYP1A2GAALMNACYP3A4
SCHEMBL7551033 0.86 CTDSP1 (0.41) CTDSP1CYP1A2GAALMNACYP3A4
SCHEMBL7555732 0.83 LMNA (0.41) CYP1A2GAALMNACYP3A4CYP2D6
Trimethylammonium SCHEMBL7551112 0.83 CTDSP1 (0.46) CTDSP1GAALMNACYP3A4MAPT
SCHEMBL11311935 0.83 ALDH1A1 (0.48) CTDSP1GAACYP3A4MAPTNPC1
SCHEMBL7551649 0.82 GAA (0.45) CTDSP1CYP1A2GAALMNACYP3A4
SCHEMBL7551655 0.82 GAA (0.45) CTDSP1CYP1A2GAALMNACYP3A4
SCHEMBL7547763 0.82 HTR6 (0.46) CTDSP1CYP1A2GAALMNACYP3A4

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-0747418-B1 Aromatic polyimide and gas separation UBE INDUSTRIES (JP) 2002-07-03 EP disclosed
US-5744575-A Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
EP-0747418-A1 Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1996-12-11 EP disclosed