SCHEMBL3663919

SCHEMBL3663919

CCOc1ccc(-c2ccc[c]c2C(N)=O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PTPRC P08575 1/20 0.38
PDE10A Q9Y233 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
TNF P01375 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RORC P51449 1/20 0.35
SLC9A1 P19634 1/20 0.35

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
SCHEMBL980043 0.86 PTGS2 (0.41) MAPK1ALDH1A1HSD17B10FFAR1
SCHEMBL978717 0.81 PARP10 (0.50) ALDH1A1HSD17B10FFAR1
SCHEMBL980742 0.79 ALDH1A1 (0.44) MAPK1MKNK1MKNK2TSHRALDH1A1
SCHEMBL3081965 0.74 MKNK1 (0.40) MAPK1MKNK1MKNK2TSHRALDH1A1
SCHEMBL981626 0.71 FGFR1 (0.49) SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL3091864 0.70 PARP1 (0.49) ALDH1A1LMNAHSD17B10SLC9A1
SCHEMBL2636302 0.69 BCAT2 (0.53) SMN1; SMN2TSHRALDH1A1LMNANPC1
SCHEMBL4911450 0.69 PARP1 (0.43) MKNK2
SCHEMBL3085799 0.69 MAP4K4 (0.41) MKNK1MKNK2ALDH1A1
SCHEMBL8090086 0.69 S1PR1 (0.45) MAPK1TAS1R3TAS1R1PTPRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed