SCHEMBL8091668

SCHEMBL8091668

NCCCC(NC(=O)C1(C(=O)NCc2ccccc2)CCCCC1)OBOC(CCCN)NC(=O)C1(C(=O)NCc2ccccc2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
SLC6A4 P31645 1/20 0.37
ATM Q13315 2/20 0.36
MMP1 P03956 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
TACR2 P21452 4/20 0.36
EPHX1 P07099 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8095182 0.99 MMP8 (0.40) MMP8SLC6A4ATMMMP1HPGD
SCHEMBL8090153 0.97 MMP8 (0.40) MMP8SLC6A4ATMHPGDALDH1A1
SCHEMBL8091670 0.93 MMP8 (0.38) MMP8SLC6A4ATMMMP1HPGD
SCHEMBL8095188 0.92 MMP8 (0.39) MMP8SLC6A4ATMMMP1HPGD
SCHEMBL8090156 0.90 MMP8 (0.39) MMP8SLC6A4ATMHPGDL3MBTL1
SCHEMBL8095466 0.89 CYP2C19 (0.39) MMP8MMP1ALDH1A1EPHX1
SCHEMBL8091583 0.88 MC4R (0.39) MMP1ERCC1ERCC4
SCHEMBL8098087 0.88 MMP8 (0.44) MMP8HPGDALDH1A1L3MBTL1
SCHEMBL8091524 0.88 F2 (0.37) MMP8ATMMMP1HPGDALDH1A1
SCHEMBL8095146 0.86 F2 (0.37) MMP8ATMHPGDEPHX1L3MBTL1

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