SCHEMBL8083597

SCHEMBL8083597

CNCCC[C@H](NC(=O)c1ccc(C23CCC(OC)(CC2)CC3)cc1)OBO

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31
CCR1 P32246 1/20 0.31
POLB P06746 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
KMT2A Q03164 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8083593 0.93 L3MBTL1 (0.32) L3MBTL1CCR1TAS1R3TAS1R1HTT
SCHEMBL8091556 0.89 CTSB (0.33) L3MBTL1CCR1POLBTAS1R3TAS1R1
SCHEMBL8091681 0.89 L3MBTL1 (0.32) L3MBTL1CCR1TAS1R3TAS1R1HTT
SCHEMBL8090092 0.88 NPY4R (0.31)
SCHEMBL8095460 0.83 ALDH1A1 (0.31) HTT
SCHEMBL8098042 0.82 NOS3 (0.33) HTT
SCHEMBL8091676 0.82 L3MBTL1 (0.32) L3MBTL1CCR1TAS1R3TAS1R1HTT
SCHEMBL8091555 0.82 CTSB (0.33) L3MBTL1CCR1POLBTAS1R3TAS1R1
SCHEMBL8090090 0.81 NPY4R (0.32) POLB
SCHEMBL8098190 0.79 CTSB (0.32) L3MBTL1TAS1R3TAS1R1

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed