SCHEMBL8764783

SCHEMBL8764783

O=C(O)CC(C(=O)O)N(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
EPOR P19235 2/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
ABCB1 P08183 1/20 0.41
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL8764792 1.00 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL7363077 0.87 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL10333560 0.87 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL6849355 0.86 FOLH1 (0.50) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL8765293 0.86 FOLH1 (0.50) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL8765302 0.86 FOLH1 (0.50) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL7275088 0.86 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL10992949 0.85 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL7362550 0.85 LMNA (0.49) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL28454256 0.84 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1POLBHSD17B10

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-0624599-B1 Derivatives of mono (6-amino-desoxy)cyclodextrin substituted in position 6 with an alpha aminoacid group, process of their preparation and applications OREAL (FR) 1997-07-30 EP claimed
US-4119493-A IN PRESENCE OF METALLOPROTEINASE ENZYME (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JP) 1978-10-10 US disclosed
US-4116768-A AMIDATION, METALLOPROTEINASE ENZYME (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JP) 1978-09-26 US disclosed