SCHEMBL10487580

SCHEMBL10487580

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.38
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NR1D1 P20393 1/20 0.33
STAT5B P51692 1/20 0.33
XBP1 P17861 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCRTR2 O43614 1/20 0.32
AURKA O14965 1/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10487690 0.84 MLYCD (0.41) MLYCD
SCHEMBL10487645 0.77 CTSK (0.49) POLBMEN1KMT2A
SCHEMBL9079379 0.74 MEN1 (0.41) RAB9ASMN1; SMN2NR1D1STAT5BMEN1
SCHEMBL11115346 0.73 SMN1; SMN2 (0.44) POLBSMN1; SMN2
SCHEMBL20195140 0.72 RAB9A (0.40) POLBRAB9ASMN1; SMN2HCRTR2KDM4E
SCHEMBL10487598 0.72 CTSK (0.54) RAB9AMEN1KMT2A
SCHEMBL27451463 0.71 MLYCD (0.44) MLYCDRAB9ASTAT5BKDM4EKMT2A
SCHEMBL10482449 0.70 MLYCD (0.40) MLYCDSMN1; SMN2STAT5B
SCHEMBL10942409 0.69 CHRM2 (0.35)
SCHEMBL4623433 0.69 F2 (0.41) SMN1; SMN2STAT5B

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-4820729-A N-substituted-amido-amino acids RORER PHARMACEUTICAL CORPORATION (US) 1989-04-11 US disclosed