SCHEMBL8095182

SCHEMBL8095182

NCCCC(NC(=O)C1(C(=O)NCc2ccccc2)CCCC1)OBOC(CCCN)NC(=O)C1(C(=O)NCc2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.40
SLC6A4 P31645 1/20 0.38
ATM Q13315 2/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX1 P07099 1/20 0.35
METAP2 P50579 1/20 0.35
MMP1 P03956 1/20 0.35
TACR2 P21452 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
SCHEMBL8091668 0.99 MMP8 (0.39) MMP8SLC6A4ATMHPGDL3MBTL1
SCHEMBL8090153 0.98 MMP8 (0.40) MMP8SLC6A4ATMHPGDL3MBTL1
SCHEMBL8095188 0.93 MMP8 (0.39) MMP8SLC6A4ATMHPGDL3MBTL1
SCHEMBL8091670 0.92 MMP8 (0.38) MMP8SLC6A4ATMHPGDL3MBTL1
SCHEMBL8090156 0.91 MMP8 (0.39) MMP8SLC6A4ATMHPGDL3MBTL1
SCHEMBL8095466 0.90 CYP2C19 (0.39) MMP8CYP1A2TSHRCYP2C19EPHX1
SCHEMBL8091583 0.89 MC4R (0.39) METAP2MMP1
SCHEMBL8098087 0.89 MMP8 (0.44) MMP8HPGDL3MBTL1CYP2D6CYP2C9
SCHEMBL8095146 0.87 F2 (0.37) MMP8ATMHPGDL3MBTL1MAPT
SCHEMBL8095266 0.87 MMP1 (0.39) MMP8CYP1A2CYP2C19MMP1TACR2

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