SCHEMBL7962944

SCHEMBL7962944

CC(=O)OCc1ccc(-c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)N(C)C)C[C@@H]3C(=O)NOC3CCCCO3)s2)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.31
PRF1 P14222 1/20 0.30
MEN1 O00255 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL7059004 0.92 MMP13 (0.35) ALDH1A1KMT2APRF1MEN1MMP13
SCHEMBL7053127 0.90 MMP13 (0.33) ALDH1A1KMT2AMEN1MMP13
SCHEMBL7055796 0.89 KMT2A (0.31) ALDH1A1KMT2AMEN1MMP13
SCHEMBL7052572 0.89 SMN1; SMN2 (0.35) ALDH1A1KMT2AMEN1MMP13
SCHEMBL7057127 0.89 KMT2A (0.35) ALDH1A1KMT2AMEN1MMP13
SCHEMBL7057502 0.89 ALDH1A1 (0.38) ALDH1A1KMT2AMMP13
SCHEMBL7352584 0.88 MMP13 (0.42) MMP13
SCHEMBL7059375 0.88 LMNA (0.40) KMT2AMMP13
SCHEMBL7060171 0.87 MCHR1 (0.36) ALDH1A1KMT2AMMP13
SCHEMBL7054787 0.84 HSD17B2 (0.34) ALDH1A1KMT2AMEN1MMP13

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-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed