SCHEMBL6778063

SCHEMBL6778063

CC(C)(NS(=O)(=O)c1ccc2c3c(oc2c1)CCCCCC3)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 5/20 0.43
TP53 P04637 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR6 P50406 6/20 0.42
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6772123 0.99 KDM4E (0.45) KDM4EALDH1A1PLGPLAUPLAT
SCHEMBL6770618 0.96 ALDH1A1 (0.45) KDM4EALDH1A1PLGPLAUPLAT
SCHEMBL6773578 0.89 MMP1 (0.44) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL6770871 0.89 MMP1 (0.44) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL6767630 0.87 MMP1 (0.45) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL6767549 0.87 MAPT (0.45) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL6767808 0.85 MMP1 (0.45) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL7668758 0.80 KMT2A (0.40) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL6771399 0.78 ALDH1A1 (0.51) KDM4EALDH1A1PLGPLAUPLAT
SCHEMBL7558734 0.77 MMP12 (0.64) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210326-B1 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-25 EP claimed
EP-1210326-B1 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-25 EP disclosed
US-6677355-B1 DIBENZOFURAN-3-(SULFONYLAMINO OR SULFINAMINO) DERIVATIVES; MULTIPLE SCLEROSIS, ATHEROSCLEROSIS, HEART FAILURE, PERIODONTAL DISEASE, OSTEOARTHRITIS, AUTOIMMUNE DISEASE; ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2004-01-13 US disclosed