SCHEMBL8931457

SCHEMBL8931457

CC(C)(C)OC(=O)NC(CCCCN)(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
PPARA Q07869 2/20 0.42
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
CTSS P25774 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
IDO1 P14902 1/20 0.38
PPARG P37231 1/20 0.38
AKT1 P31749 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9073508 0.92 MEN1 (0.45) SYKPPARAITGB3ITGA2BMEN1
SCHEMBL10382701 0.92 SYK (0.43) SYKPPARAITGB3ITGA2BMEN1
SCHEMBL7389000 0.92 MEN1 (0.45) SYKPPARAITGB3ITGA2BMEN1
SCHEMBL7485771 0.87 SYK (0.48) SYKPPARAMEN1KMT2ACTSS
Hydrochloric Acid SCHEMBL17237486 0.81 ITGB3 (0.40) ITGB3ITGA2BMEN1KMT2A
SCHEMBL3050421 0.80 ECE1 (0.41) SYKPPARAITGB3ITGA2BMAPT
SCHEMBL16670771 0.79 KEAP1 (0.40) MEN1KMT2AMAPT
SCHEMBL11304088 0.79 HTR2C (0.39) SYKITGB3ITGA2BKMT2AMAPT
SCHEMBL9800219 0.78 SYK (0.43) SYKPPARAITGB3ITGA2BMEN1
SCHEMBL1728479 0.78 SYK (0.53) SYKPPARAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759786-A1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATECH, INC. (US) 1997-03-05 EP disclosed
WO-1995031221-A1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATECH, INC. (US) 1995-11-23 WO disclosed