SCHEMBL8921583

SCHEMBL8921583

CC(CCN(CCCCNC(=O)OCC(=O)O)Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
APP P05067 2/20 0.42
CTSK P43235 3/20 0.41
AKT1 P31749 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
PAX8 Q06710 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSS P25774 1/20 0.39

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
SCHEMBL8920449 0.88 CTSK (0.47) MAPTMEN1KMT2AAPPCTSK
SCHEMBL8921567 0.86 SMN1; SMN2 (0.47) MAPTMEN1KMT2AAPPCTSK
SCHEMBL8920496 0.85 MAPT (0.41) MAPTMEN1KMT2AITGB3ITGA2B
SCHEMBL8919472 0.85 MAPT (0.41) MAPTMEN1KMT2AITGB3ITGA2B
SCHEMBL8921657 0.85 MAPT (0.41) MAPTMEN1KMT2AITGB3ITGA2B
SCHEMBL8920403 0.83 AKT1 (0.46) KLK5CTSKAKT1
SCHEMBL8921589 0.83 AKT1 (0.46) KLK5CTSKAKT1
SCHEMBL8923100 0.83 AKT1 (0.46) KLK5CTSKAKT1
SCHEMBL25353524 0.81 AKT1 (0.53) APPAKT1NPSR1TDP1
SCHEMBL18087667 0.81 AKT1 (0.53) APPAKT1NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637613-A ANTITUMOR AGENT; IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-06-10 US disclosed