SCHEMBL2463090

SCHEMBL2463090

Cc1cc(N)ccc1-c1c(CC2CO2)c(CC2CO2)c(N)c(CC2CO2)c1CC1CO1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CASP1 P29466 2/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2B Q14289 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAD52 P43351 1/20 0.30
GFER P55789 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
Methane SCHEMBL20448910 0.92 ALDH1A1 (0.33) ALDH1A1CASP1CASP7HSD17B10MAPT
Methylamine SCHEMBL29171068 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9857428 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16752090 0.76 ALDH1A1 (0.33) ALDH1A1MAPTMEN1THRBKMT2A
Methane SCHEMBL2463091 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8355559 0.75 ALDH1A1 (0.30) ALDH1A1CASP1CASP7HSD17B10
SCHEMBL14352763 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16752043 0.74 L3MBTL1 (0.44) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL821135 0.73 MAOA (0.38)
Methane SCHEMBL27802087 0.73

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
US-20110227228-A1 FILLING COMPOSITION, SEMICONDUCTOR DEVICE INCLUDING THE SAME, AND METHOD OF FABRICATING THE SEMICONDUCTOR DEVICE ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2011-09-22 US claimed
US-20110227228-A1 FILLING COMPOSITION, SEMICONDUCTOR DEVICE INCLUDING THE SAME, AND METHOD OF FABRICATING THE SEMICONDUCTOR DEVICE ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2011-09-22 US disclosed
WO-2000040634-A2 MODIFIED EPOXIES FOR PAPER SIZING HERCULES INCORPORATED (US) 2000-07-13 WO disclosed