SCHEMBL4679985

SCHEMBL4679985

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CTSK P43235 2/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
BACE1 P56817 2/20 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
SCHEMBL2499502 0.86 POLB (0.47) SYKPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19456479 0.86 POLB (0.47) SYKPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30307663 0.86 POLB (0.47) SYKPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30878162 0.86 POLB (0.47) SYKPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL23491355 0.81 SYK (0.45) SYKPOLBL3MBTL1ALDH1A1
SCHEMBL30447863 0.81 NPSR1 (0.45) SYKPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL23491247 0.81 SYK (0.45) SYKPOLBL3MBTL1ALDH1A1
SCHEMBL30447288 0.81 NPSR1 (0.45) SYKPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30447697 0.80 NPSR1 (0.44) SYKPOLBL3MBTL1ALDH1A1
SCHEMBL30447606 0.80 NPSR1 (0.44) SYKPOLBL3MBTL1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045836-B1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2008-03-05 EP disclosed
EP-1171113-B1 COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS BOEHRINGER INGELHEIM PHARMA (US) 2004-06-02 EP disclosed
EP-1171113-A1 COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-01-16 EP disclosed
US-6284768-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-09-04 US disclosed
US-6268365-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-07-31 US disclosed
US-6156784-A Compounds useful as phosphotyrosine mimics BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-12-05 US disclosed
WO-2000062770-A1 COMPOUNDS USEFUL AS PHOSPHOTYROSINE MIMICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-10-26 WO disclosed
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 EP disclosed
US-6054470-A Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-25 US disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed