SCHEMBL8090156

SCHEMBL8090156

NCCC[C@H](NC(=O)C1(C(=O)NCc2ccccc2)CCC1)OBO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
HPGD P15428 1/20 0.38
SLC6A4 P31645 1/20 0.37
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
METAP2 P50579 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.34
ANPEP P15144 1/20 0.33

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
SCHEMBL8095188 0.98 MMP8 (0.39) MMP8HPGDSLC6A4ATML3MBTL1
SCHEMBL8091670 0.97 MMP8 (0.38) MMP8HPGDSLC6A4ATML3MBTL1
SCHEMBL8090153 0.93 MMP8 (0.40) MMP8HPGDSLC6A4ATML3MBTL1
SCHEMBL8095182 0.91 MMP8 (0.40) MMP8HPGDSLC6A4ATML3MBTL1
SCHEMBL8091668 0.90 MMP8 (0.39) MMP8HPGDSLC6A4ATML3MBTL1
SCHEMBL8095467 0.88 CYP3A4 (0.38) MMP8HPGDCYP1A2TSHRCYP2C19
SCHEMBL8091588 0.88 MC4R (0.38) METAP2
SCHEMBL8091532 0.88 MMP8 (0.36) MMP8HPGDATML3MBTL1MAPT
SCHEMBL8098091 0.87 MMP8 (0.43) MMP8HPGDL3MBTL1CYP2D6CYP2C9
SCHEMBL8095158 0.85 MMP8 (0.36) MMP8HPGDATML3MBTL1MAPT

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