SCHEMBL6984201

SCHEMBL6984201

CCCC(CC(C)C)(C(=O)NN)C(=O)[C@@H]([C@H](C/C=C/c1ccccc1)C(=O)NO)n1ccc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.37
CTSC P53634 1/20 0.32

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
Hydrochloric Acid SCHEMBL6981739 0.82 ADAM17 (0.38) ADAM17CTSC
SCHEMBL6941953 0.82 ADAM17 (0.39) ADAM17CTSC
SCHEMBL7818862 0.82 ADAM17 (0.36) ADAM17CTSC
SCHEMBL7811747 0.81 ADAM17 (0.35) ADAM17CTSC
SCHEMBL6981661 0.81 ADAM17 (0.35) ADAM17
SCHEMBL6983197 0.80 ADAM17 (0.34) ADAM17
SCHEMBL6982348 0.79 MMP1 (0.38) ADAM17
SCHEMBL6987205 0.79 ADAM17 (0.37) ADAM17CTSC
SCHEMBL7812777 0.79 ADAM17 (0.36) ADAM17CTSC
SCHEMBL6982557 0.79 ADAM17 (0.35) ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed