SCHEMBL10604129

SCHEMBL10604129

C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
NTSR1 P30989 1/20 0.55
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CTSK P43235 3/20 0.53
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CTSS P25774 3/20 0.51
PPARA Q07869 1/20 0.51
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ATM Q13315 1/20 0.48

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
SCHEMBL31027104 1.00 SYK (0.57) SYKNTSR1POLBL3MBTL1CTSK
SCHEMBL1463134 0.95 POLB (0.58) SYKNTSR1POLBL3MBTL1CTSK
SCHEMBL7512116 0.95 POLB (0.58) SYKNTSR1POLBL3MBTL1CTSK
SCHEMBL648574 0.95 POLB (0.58) SYKNTSR1POLBL3MBTL1CTSK
SCHEMBL29233251 0.90 SYK (0.60) SYKPOLBCTSKCTSSCTSL
SCHEMBL29813564 0.90 SYK (0.60) SYKPOLBCTSKCTSSCTSL
SCHEMBL30407619 0.90 SYK (0.60) SYKPOLBCTSKCTSSCTSL
SCHEMBL17616957 0.90 SYK (0.60) SYKPOLBCTSKCTSSCTSL
SCHEMBL17616879 0.90 SYK (0.60) SYKPOLBCTSKCTSSCTSL
SCHEMBL10051906 0.89 SYK (0.54) SYKNTSR1POLBL3MBTL1CTSK

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
EP-0227306-B1 PEPTIDE IMMUNOSTIMULANTS PFIZER INC. (US) 1989-09-13 EP disclosed
US-4767743-A ANTIINFECTION AGENTS PFIZER INC. (US) 1988-08-30 US disclosed
EP-0227306-A2 Peptide immunostimulants PFIZER INC. (US) 1987-07-01 EP disclosed