SCHEMBL16267992

SCHEMBL16267992

COc1ccc2cc(B3OC(C)(C)C(C)(C)O3)cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.50
HPGDS O60760 13/20 0.49
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
ALPL P05186 1/20 0.47
EGFR P00533 1/20 0.47
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
DGAT1 O75907 1/20 0.39

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
SCHEMBL23247161 0.89 SNCA (0.53) SNCAHPGDSPDGFRBPDGFRAALPL
SCHEMBL4561669 0.83 SNCA (0.47) SNCAHPGDSPDGFRBPDGFRAALPL
SCHEMBL30276774 0.81 SNCA (0.54) SNCALPLLIPG
SCHEMBL2508208 0.81 SNCA (0.54) SNCALPLLIPG
SCHEMBL21671268 0.80 PDGFRB (0.46) PDGFRBPDGFRAALPL
SCHEMBL22816073 0.80 PDGFRB (0.43) SNCAPDGFRBPDGFRAALPLEGFR
SCHEMBL20374414 0.79 SNCA (0.50) SNCAPDGFRBPDGFRALPLLIPG
SCHEMBL167417 0.78 ALPL (0.57) PDGFRBPDGFRAALPLLPLLIPG
SCHEMBL5778605 0.78 LPL (0.53) SNCALPLLIPG
SCHEMBL20392825 0.78 SNCA (0.50) SNCAPDGFRBPDGFRAALPLEGFR

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
WO-2014193647-A2 ALKENYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2014-12-04 WO disclosed