SCHEMBL6943418

SCHEMBL6943418

CC(C)CC(C(=O)O)[C@@H](CCCC1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
REN P00797 3/20 0.38
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MAPT P10636 1/20 0.34
EPHX1 P07099 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 3/20 0.34
BMP1 P13497 2/20 0.34
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL7764173 1.00 BCHE (0.39) BCHERENCTSSCTSKMAPT
SCHEMBL7764176 1.00 BCHE (0.39) BCHERENCTSSCTSKMAPT
SCHEMBL6943422 1.00 BCHE (0.39) BCHERENCTSSCTSKMAPT
SCHEMBL7928707 0.99 BCHE (0.37) BCHERENCTSSCTSKMAPT
SCHEMBL7815506 0.99 BCHE (0.37) BCHERENCTSSCTSKMAPT
SCHEMBL6986468 0.96 BCHE (0.38) BCHERENCTSSCTSKEPHX1
SCHEMBL6939989 0.83 BCHE (0.39) BCHERENCTSSCTSKEPHX1
SCHEMBL6987806 0.82 BCHE (0.37) BCHERENCTSSCTSKEPHX1
SCHEMBL6945400 0.80 CTSK (0.33) RENCTSKSMN1; SMN2KMT2A
SCHEMBL6946023 0.80 CTSK (0.33) RENCTSKSMN1; SMN2KMT2A

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