SCHEMBL9510397

SCHEMBL9510397

N#Cc1c(NC(=O)CO)cccc1NC(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 3/20 0.42
RAB9A P51151 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ALOX15 P16050 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL9510680 0.92 GAA (0.42) CYP1A2CYP2C19GAATSHRLMNA
SCHEMBL9510380 0.89 TSHR (0.43) CYP1A2CYP2C19GAATSHRLMNA
SCHEMBL9510298 0.85 HSD17B10 (0.50) CYP1A2GAATSHRLMNAMEN1
SCHEMBL9510280 0.80 ALDH1A1 (0.56) GAATSHRLMNAKMT2AKDM4E
SCHEMBL9510364 0.78 ALDH1A1 (0.53) CYP1A2CYP2C19GAATSHRLMNA
SCHEMBL9510386 0.77 SMN1; SMN2 (0.61) GAATSHRRAB9AHSD17B10ALDH1A1
SCHEMBL13414547 0.77 ALDH1A1 (0.52) CYP2C19GAATSHRRAB9AMEN1
SCHEMBL27371005 0.76 MEN1 (0.50) CYP1A2CYP2C19TSHRPRMT5WDR77
SCHEMBL9510315 0.75 GAA (0.63) CYP2C19GAATSHRLMNAKMT2A
SCHEMBL12354757 0.74 LMNA (0.48) CYP1A2CYP2C19GAATSHRLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP claimed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 US claimed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP claimed
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP disclosed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 US disclosed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP disclosed