SCHEMBL7418210

SCHEMBL7418210

CC#CCOc1ccc(SC(CCCCNC(=O)CNC(=O)C2c3ccccc3Oc3ccccc32)C(=O)NO)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.57
MMP9 P14780 8/20 0.57
MMP13 P45452 7/20 0.57
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
MMP1 P03956 5/20 0.37
ADAM10 O14672 1/20 0.36
MMP2 P08253 1/20 0.36
MMP14 P50281 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
SCHEMBL7414307 0.84 ADAM17 (0.57) ADAM17MMP9MMP13KMT2AMEN1
SCHEMBL7422810 0.84 KMT2A (0.41) ADAM17MMP9MMP13KMT2AMEN1
SCHEMBL3939996 0.82 ADAM17 (0.63) ADAM17MMP9MMP13ALDH1A1MMP1
SCHEMBL3940241 0.80 ADAM17 (0.73) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL3945185 0.79 ADAM17 (0.59) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL7415917 0.78 ADAM17 (0.58) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL4202703 0.78 ADAM17 (0.55) ADAM17MMP9MMP13MAPTMMP1
SCHEMBL7466803 0.78 ADAM17 (0.59) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL7414772 0.78 ADAM17 (0.57) ADAM17MMP9MMP13KMT2AMEN1
SCHEMBL3944998 0.77 ADAM17 (0.68) ADAM17MMP9MMP13ALDH1A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP claimed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed