SCHEMBL8920449

SCHEMBL8920449

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.47
APP P05067 3/20 0.44
MAPT P10636 1/20 0.44
AKT1 P31749 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSS P25774 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 2/20 0.40
PTPRA P18433 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
SCHEMBL8921567 0.91 SMN1; SMN2 (0.47) CTSKAPPMAPTAKT1CYP1A2
SCHEMBL8921583 0.88 MAPT (0.48) CTSKAPPMAPTAKT1CTSS
SCHEMBL8921588 0.86 CTSK (0.41) CTSKAPPMAPTAKT1CYP1A2
SCHEMBL8921748 0.86 CTSK (0.41) CTSKAPPMAPTAKT1CYP1A2
SCHEMBL8921597 0.86 CTSK (0.41) CTSKAPPMAPTAKT1CYP1A2
SCHEMBL8921737 0.86 CTSK (0.41) CTSKAPPMAPTAKT1CYP1A2
SCHEMBL8923100 0.86 AKT1 (0.46) CTSKAKT1
SCHEMBL8921589 0.86 AKT1 (0.46) CTSKAKT1
SCHEMBL8920403 0.86 AKT1 (0.46) CTSKAKT1
SCHEMBL8920576 0.83 CTSS (0.50) CTSKAKT1CTSS

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