SCHEMBL17250899

SCHEMBL17250899

Nc1ccc(CCCOC(=O)CCc2ccc(N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
APP P05067 2/20 0.49
LMNA P02545 2/20 0.49
FFAR1 O14842 2/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAOB P27338 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL17250903 0.89 TDP1 (0.61) TDP1APPFFAR1CYP4F2CYP4A11
SCHEMBL10900609 0.89 LMNA (0.58) TDP1APPLMNACYP4F2CYP4A11
SCHEMBL28010049 0.85 TDP1 (0.56) TDP1APPLMNACYP4F2CYP4A11
SCHEMBL13006947 0.85 TDP1 (0.49) TDP1APPLMNACYP4F2CYP4A11
SCHEMBL17250900 0.84 NPC1 (0.53) TDP1APPCYP4F2CYP4A11HRH4
SCHEMBL14595169 0.84 LMNA (0.56) TDP1LMNAHRH4HRH3NPC1
SCHEMBL30694096 0.84 NPC1 (0.56) TDP1APPCYP4F2CYP4A11MAOB
SCHEMBL20052248 0.83 TDP1 (0.58) TDP1APPLMNAFFAR1CYP4F2
SCHEMBL16245538 0.82 LMNA (0.71) LMNAFFAR1MAOBNPC1RAB9A
SCHEMBL2540241 0.82 TDP1 (0.85) TDP1APPLMNAFFAR1NPC1

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-20150323837-A1 LIQUID CRYSTAL DISPLAY DEVICE AND METHOD FOR FABTICATING THE SAME JSR CORPORATION (JP) 2015-11-12 US disclosed
US-20150323837-A1 LIQUID CRYSTAL DISPLAY DEVICE AND METHOD FOR FABTICATING THE SAME JSR CORPORATION (JP) 2015-11-12 US disclosed