SCHEMBL7955824

SCHEMBL7955824

O=C(O)CCCC(NS(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.42
ACP1 P24666 1/20 0.42
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
PORCN Q9H237 3/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.37
MMP9 P14780 2/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
ADAMTS4 O75173 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL7956113 0.88 MMP1 (0.42) TBXAS1KDM4EPOLBHPGDCYP3A4
SCHEMBL7956127 0.87 MMP9 (0.46) KDM4EPOLBHPGDCYP3A4CYP2D6
SCHEMBL7945733 0.83 PGR (0.43) TBXAS1KDM4EPOLBHPGDCYP3A4
SCHEMBL7955821 0.81 MMP2 (0.46) ACP1KDM4EUSP2POLBHPGD
SCHEMBL7956056 0.79 ALDH1A1 (0.51) KDM4EALDH1A1MAPTMMP9MMP8
SCHEMBL7959404 0.77 MMP2 (0.56) PORCNMMP9MMP13MMP1
SCHEMBL1381142 0.75 MMP2 (0.41) ACP1KDM4EUSP2POLBHPGD
SCHEMBL7952565 0.75 LMNA (0.55) ALDH1A1MAPTMMP9MMP13
SCHEMBL7955839 0.74 MMP2 (0.42) KDM4ETSHRALDH1A1MAPTMMP9
Hydroxyamine SCHEMBL1380759 0.74 MMP2 (0.40) ACP1KDM4EUSP2POLBHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed