SCHEMBL9442147

SCHEMBL9442147

CCCCCCCCCCCCCCCCCCOC(=O)CC(NC(=O)OC(C)(C)C)C(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
CTSS P25774 3/20 0.45
NAAA Q02083 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
EPHX1 P07099 1/20 0.43
FAAH O00519 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CACNA1B Q00975 2/20 0.40
RAD52 P43351 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
SCHEMBL9442153 1.00 CTSK (0.50) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL16552425 0.88 CTSK (0.51) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL16855041 0.88 CTSK (0.51) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL17195650 0.87 CTSK (0.52) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL17195659 0.87 CTSK (0.52) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL31647938 0.87 CTSK (0.51) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL3719232 0.85 CTSK (0.51) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL4058903 0.85 CTSK (0.51) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL8176917 0.85 CTSK (0.51) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL16124568 0.85 CTSK (0.50) CTSKCYP1A2CYP2C9CYP2C19HTT

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-5190782-A Dietetics NABISCO, INC. (US) 1993-03-02 US disclosed