SCHEMBL7928707

SCHEMBL7928707

CC(C)CC(C(=O)O)[C@@H](CCCC1CCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
REN P00797 3/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MMP2 P08253 2/20 0.32
BMP1 P13497 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.32
PPARG P37231 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
SCHEMBL7815506 1.00 BCHE (0.37) BCHERENMAPTKMT2ACTSS
SCHEMBL6943422 0.99 BCHE (0.39) BCHERENMAPTKMT2ACTSS
SCHEMBL7764173 0.99 BCHE (0.39) BCHERENMAPTKMT2ACTSS
SCHEMBL6943418 0.99 BCHE (0.39) BCHERENMAPTKMT2ACTSS
SCHEMBL7764176 0.99 BCHE (0.39) BCHERENMAPTKMT2ACTSS
SCHEMBL6986468 0.95 BCHE (0.38) BCHERENCTSSCTSKSMN1; SMN2
SCHEMBL6987806 0.83 BCHE (0.37) BCHERENCTSSCTSKMMP2
SCHEMBL6939989 0.82 BCHE (0.39) BCHERENCTSSCTSKMMP2
SCHEMBL6946023 0.81 CTSK (0.33) RENKMT2ACTSKSMN1; SMN2
SCHEMBL6945400 0.81 CTSK (0.33) RENKMT2ACTSKSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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