SCHEMBL27609243

SCHEMBL27609243

CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
PRNP P04156 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CTSA P10619 7/20 0.45
FAAH O00519 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CYP26A1 O43174 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL3339675 1.00 CTSS (0.49) CTSSCTSKPRNPNPSR1RXFP1
SCHEMBL1147851 1.00 CTSS (0.49) CTSSCTSKPRNPNPSR1RXFP1
SCHEMBL17697945 0.89 CTSS (0.42) CTSSCTSKNPSR1MEN1KMT2A
SCHEMBL16689354 0.89 CTSS (0.42) CTSSCTSKNPSR1MEN1KMT2A
SCHEMBL16680294 0.88 HTT (0.48) CTSSCTSKNPSR1FAAHMEN1
SCHEMBL16680292 0.88 HTT (0.48) CTSSCTSKNPSR1FAAHMEN1
SCHEMBL13118109 0.87 CTSS (0.48) CTSSCTSKNPSR1MEN1KMT2A
SCHEMBL15654514 0.87 CYP26A1 (0.53) CTSACYP26A1
SCHEMBL3874575 0.87 CTSS (0.48) CTSSCTSKNPSR1MEN1KMT2A
SCHEMBL3525211 0.87 CTSS (0.48) CTSSCTSKNPSR1MEN1KMT2A

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
CN-104662015-B Complement pathway modulators and uses thereof 诺华股份有限公司 2017-03-29 CN disclosed
CN-104662015-A Complement pathway modulators and uses thereof NOVARTIS AG 2015-05-27 CN disclosed
CN-1543461-A Melanocortin receptor ligands 2004-11-03 CN disclosed