SCHEMBL6985583

SCHEMBL6985583

CC(C)C[C@](Cc1ccccc1)(C(=O)O)[C@H](C/C=C/C1CCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.37
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FKBP1A P62942 4/20 0.34
GPR119 Q8TDV5 1/20 0.34
MAPK1 P28482 1/20 0.34
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
KLK5 Q9Y337 1/20 0.32
CTSL P07711 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
SCHEMBL6988956 0.83 HTR2A (0.36) CTSL
SCHEMBL6981175 0.77 CTSS (0.37) RENKLK5CTSL
SCHEMBL6985909 0.72 CA12 (0.34) RENCTSL
SCHEMBL14713246 0.69 SMN1; SMN2 (0.46) KMT2AL3MBTL1
SCHEMBL6447831 0.64 PPARA (0.39) RENCTSL
SCHEMBL25139692 0.63 CTSK (0.46) KMT2ACTSL
SCHEMBL20144682 0.62 NFKB1 (0.44) CTSL
SCHEMBL9112566 0.62 GPR119 (0.46) KMT2AL3MBTL1GPR119
SCHEMBL8097897 0.62 CTSS (0.41) CTSL
SCHEMBL8896841 0.62 ALDH1A1 (0.40) KMT2AL3MBTL1

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
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
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