SCHEMBL6204311

SCHEMBL6204311

O=C(O)OC1CC2CCCC2N1S(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
UQCRB P14927 2/20 0.43
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL3149439 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1GAAATM
SCHEMBL3162410 0.87 LMNA (0.50) ALDH1A1KMT2AMEN1KDM4EATM
SCHEMBL3153829 0.85 KDM4E (0.47) ALDH1A1KMT2AMEN1KDM4EATM
SCHEMBL2960166 0.85 HSD17B10 (0.46) HSD17B10UQCRBALDH1A1KMT2AMEN1
SCHEMBL8319058 0.85 HSD17B10 (0.46) HSD17B10UQCRBALDH1A1KMT2AMEN1
SCHEMBL3157948 0.82 PSEN1 (0.36) ALDH1A1KMT2AMEN1GAAATM
SCHEMBL3163162 0.81 POLB (0.42) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3161831 0.80 ACHE (0.49) ALDH1A1KDM4ELMNAHTT
SCHEMBL3164298 0.79 LMNA (0.41) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL3153129 0.79 PSEN1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA

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-1585728-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES Aventis Pharma Deutschland GmbH (DE) 2005-10-19 EP disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed