SCHEMBL7414307

SCHEMBL7414307

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.57
MMP9 P14780 10/20 0.57
MMP13 P45452 9/20 0.57
MMP1 P03956 8/20 0.47
MMP2 P08253 3/20 0.42
MMP14 P50281 3/20 0.42
ADAM10 O14672 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7422810 0.85 KMT2A (0.41) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL7418210 0.84 ADAM17 (0.57) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3937334 0.82 ADAM17 (0.64) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3939497 0.81 ADAM17 (0.74) ADAM17MMP9MMP13MMP1MMP14
SCHEMBL3948475 0.80 ADAM17 (0.61) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL7414426 0.79 ADAM17 (0.58) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3948040 0.78 ADAM17 (0.65) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6655712 0.78 ADAM17 (0.56) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3946154 0.78 ADAM17 (0.69) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3948467 0.77 ADAM17 (0.57) ADAM17MMP9MMP13MMP1MMP2

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