SCHEMBL7933426

SCHEMBL7933426

CCC[C@@H](C(=O)N(C)N)[C@@H](C(=O)NOC1CCCCO1)C(/C=C/c1ccccc1)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.33
CTSK P43235 2/20 0.33
TGFBR1 P36897 1/20 0.33
P2RX3 P56373 1/20 0.32
PSEN1 P49768 5/20 0.31
PSEN2 P49810 5/20 0.31
APH1B Q8WW43 5/20 0.31
NCSTN Q92542 5/20 0.31
APH1A Q96BI3 5/20 0.31
PSENEN Q9NZ42 5/20 0.31
MMP2 P08253 3/20 0.31
MMP9 P14780 3/20 0.31
MMP1 P03956 1/20 0.31
MMP7 P09237 1/20 0.31
MMP10 P09238 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
ADAM17 P78536 1/20 0.31
CAPN1 P07384 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL6983935 0.84 CTSK (0.36) CTSKTGFBR1P2RX3MMP2MMP9
SCHEMBL6947398 0.75 ADAM17 (0.34) CTSKTGFBR1P2RX3MMP2MMP9
SCHEMBL6937840 0.75 ADAM17 (0.34) CTSKTGFBR1P2RX3MMP2MMP9
SCHEMBL8097948 0.72 P2RX3 (0.31) TGFBR1P2RX3MMP2MMP9ANPEP
SCHEMBL7955132 0.72 ADAM17 (0.44) APPTGFBR1P2RX3MMP2MMP9
SCHEMBL7835552 0.72 ADAM17 (0.44) APPTGFBR1P2RX3MMP2MMP9
SCHEMBL6946853 0.71 ADAM17 (0.50) APPTGFBR1P2RX3MMP2MMP9
SCHEMBL6988246 0.71 ADAM17 (0.43) APPTGFBR1P2RX3PSEN1PSEN2
SCHEMBL7934869 0.71 CTSC (0.36) APPTGFBR1P2RX3MGLL
SCHEMBL6943375 0.70 ADAM17 (0.53) APPTGFBR1P2RX3PSEN1PSEN2

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