SCHEMBL6980958

SCHEMBL6980958

CC(C)C[C@@H](C(=O)NN)C(C(=O)NO)C(CCC1CCCCC1)(CC(C)C)C(=O)[C@@H](C)N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
MMP8 P22894 3/20 0.34
ADAM17 P78536 1/20 0.34
BCHE P06276 1/20 0.33
MMP2 P08253 3/20 0.33
MMP3 P08254 2/20 0.33
MMP7 P09237 1/20 0.33
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
METAP2 P50579 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
LTA4H P09960 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
SCHEMBL6989546 0.83 BMP1 (0.35) MMP1MMP8MMP2MMP3METAP2
SCHEMBL6984786 0.81 MMP2 (0.32) MMP1MMP9MMP14MMP8ADAM17
Hydrochloric Acid SCHEMBL6986332 0.80 MMP2 (0.32) MMP1MMP9MMP14MMP8ADAM17
SCHEMBL6942689 0.80 MMP1 (0.35) MMP1MMP9MMP14MMP8ADAM17
SCHEMBL6982424 0.79 BCHE (0.30) BCHE
SCHEMBL6982649 0.79 ANPEP (0.40) MMP1MMP8ADAM17MMP2MMP3
SCHEMBL6983030 0.76 MMP1 (0.32) MMP1MMP8MMP2MMP3MMP7
SCHEMBL6940029 0.74 MMP1 (0.36) MMP1MMP9MMP14MMP8ADAM17
SCHEMBL7812254 0.69 PSEN1 (0.35) MMP1MMP9MMP8MMP2MMP3
SCHEMBL6939924 0.69 ADAM17 (0.40) MMP1MMP9MMP14ADAM17MMP2

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed