SCHEMBL7557045

SCHEMBL7557045

CCCCCN(CCCCC)CCCCC.CCCCCN(CCCCC)CCCCC.Nc1ccc(Oc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
GAA P10253 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 3/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
POLB P06746 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL7554741 0.96 GAA (0.45) HSD17B10GAACYP1A2CYP2D6SCN1A
SCHEMBL7555732 0.93 LMNA (0.41) HSD17B10GAACYP1A2CYP2D6SCN1A
SCHEMBL7551904 0.89 LMNA (0.44) HSD17B10GAACYP1A2CYP2D6SCN1A
SCHEMBL7551028 0.85 CTDSP1 (0.41) HSD17B10GAACYP1A2CYP2D6SCN1A
SCHEMBL7551033 0.85 CTDSP1 (0.41) HSD17B10GAACYP1A2CYP2D6SCN1A
SCHEMBL7550042 0.85 GAA (0.41) HSD17B10GAACYP1A2CYP2D6SCN1A
SCHEMBL7550037 0.85 GAA (0.41) HSD17B10GAACYP1A2CYP2D6SCN1A
SCHEMBL7549551 0.85 HSD17B10 (0.46) HSD17B10GAACYP1A2CYP2D6SCN1A
SCHEMBL7555909 0.83 GAA (0.42) HSD17B10GAACYP1A2CYP2D6SCN1A
SCHEMBL7555906 0.83 GAA (0.42) HSD17B10GAACYP1A2CYP2D6SCN1A

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