SCHEMBL6944781

SCHEMBL6944781

C=CCC(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.40
MMP3 P08254 9/20 0.40
MMP7 P09237 8/20 0.40
MMP1 P03956 7/20 0.40
PRKCA P17252 3/20 0.34
MMP8 P22894 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ADAM17 P78536 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL6988899 1.00 MMP2 (0.40) MMP2MMP3MMP7MMP1PRKCA
SCHEMBL4146664 1.00 MMP2 (0.40) MMP2MMP3MMP7MMP1PRKCA
SCHEMBL6801843 1.00 MMP2 (0.40) MMP2MMP3MMP7MMP1PRKCA
SCHEMBL7070415 1.00 MMP2 (0.40) MMP2MMP3MMP7MMP1PRKCA
SCHEMBL7777764 0.94 MMP2 (0.40) MMP2MMP3MMP7MMP1PRKCA
SCHEMBL8154681 0.94 MMP2 (0.40) MMP2MMP3MMP7MMP1PRKCA
SCHEMBL15628743 0.89 GRIK1 (0.33) MMP2MMP3MMP7MMP1CTSK
SCHEMBL15618988 0.89 GRIK1 (0.33) MMP2MMP3MMP7MMP1CTSK
SCHEMBL15619396 0.89 GRIK1 (0.33) MMP2MMP3MMP7MMP1CTSK
SCHEMBL8167008 0.87 MMP2 (0.42) MMP2MMP3MMP7MMP1PRKCA

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 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
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed