SCHEMBL7182822

SCHEMBL7182822

CCN(CC)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2C(=O)OC)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
HSD17B10 Q99714 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
NPC1 O15118 2/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GFER P55789 2/20 0.38
TSHR P16473 4/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 2/20 0.35
GABRA1 P14867 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
SCHEMBL10687283 0.88 SMN1; SMN2 (0.39) ALDH1A1MAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL9665847 0.85 GABRG2 (0.39) ALDH1A1MAPTHSD17B10SMN1; SMN2MAPK1
SCHEMBL10865999 0.84 MAPT (0.46) ALDH1A1MAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL7187749 0.83 SLC2A1 (0.45) ALDH1A1MAPTHSD17B10SMN1; SMN2MAPK1
SCHEMBL6248420 0.83 S100B (0.47) ALDH1A1MAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL10942423 0.82 S100B (0.46) ALDH1A1MAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL10694450 0.79 ALDH1A1 (0.39) ALDH1A1MAPTHSD17B10LMNAMAPK1
SCHEMBL10952039 0.78 S100B (0.53) ALDH1A1MAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL9663807 0.78 RAB9A (0.46) ALDH1A1MAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL8324518 0.78 L3MBTL1 (0.44) ALDH1A1MAPTHSD17B10SMN1; SMN2MAPK1

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
US-6586364-B2 Shell walls; liquid coloring PENTAX CORPORATION (JP) 2003-07-01 US disclosed
US-20020168580-A1 Heat-sensitive microcapsule and recording medium using same ASAHI KOGAKU KOGYO KABUSHIKI KAISHA 2002-11-14 US disclosed