SCHEMBL7455706

SCHEMBL7455706

COC(=O)C(O)C(NC(=O)c1ccccc1)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
HDAC1 Q13547 2/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NTSR1 P30989 1/20 0.44
NR1H2 P55055 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CTSK P43235 1/20 0.41

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
SCHEMBL7452537 0.92 HDAC1 (0.49) NAMPTHDAC1MEN1KMT2ANTSR1
SCHEMBL7446916 0.86 HDAC1 (0.50) NAMPTHDAC1MEN1KMT2ANTSR1
SCHEMBL4006566 0.85 NAMPT (0.49) NAMPTHDAC1MEN1KMT2ANTSR1
SCHEMBL8214866 0.85 NAMPT (0.49) NAMPTHDAC1MEN1KMT2ANTSR1
SCHEMBL7448308 0.81 HDAC1 (0.52) NAMPTHDAC1MEN1KMT2ANTSR1
SCHEMBL7446767 0.80 HDAC1 (0.48) NAMPTHDAC1MEN1KMT2ANTSR1
SCHEMBL7457288 0.80 HDAC1 (0.53) NAMPTHDAC1MEN1KMT2ANTSR1
SCHEMBL28736218 0.79 LMNA (0.59) HDAC1KMT2ACYP3A4CYP2C19MAPT
SCHEMBL330450 0.79 LMNA (0.59) HDAC1KMT2ACYP3A4CYP2C19MAPT
SCHEMBL6356699 0.79 LMNA (0.59) HDAC1KMT2ACYP3A4CYP2C19MAPT

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
WO-2001027096-A9 AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS PROTHERICS MOLECULAR DESIGN LT (GB) 2001-07-12 WO disclosed
WO-2001027096-A1 AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS TULARIK LIMITED (GB) 2001-04-19 WO disclosed