SCHEMBL4149139

SCHEMBL4149139

C1=CC2(CCC2)c2ccccc2O1.O=C(O)c1[nH]nc2c1COc1ccccc1-2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.67
KDM4E B2RXH2 3/20 0.67
HSD17B10 Q99714 3/20 0.67
ALDH1A1 P00352 2/20 0.67
NR1H4 Q96RI1 1/20 0.34
GSR P00390 2/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.31
CLK1 P49759 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3R5 Q8WYR1 1/20 0.31
PIK3R3 Q92569 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
SCHEMBL3928928 0.85 ALPL (0.65) ALPLKDM4EHSD17B10ALDH1A1NR1H4
SCHEMBL4008228 0.83 ALPL (0.43) ALPLKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL646283 0.82 KDM4E (1.00) ALPLKDM4EHSD17B10ALDH1A1NR1H4
SCHEMBL3928703 0.78 ALPL (0.54) ALPLKDM4EHSD17B10ALDH1A1NR1H4
SCHEMBL4305550 0.75 ALPL (0.60) ALPLKDM4EHSD17B10ALDH1A1NR1H4
SCHEMBL4306859 0.75 ALPL (0.57) ALPLKDM4EHSD17B10ALDH1A1NR1H4
SCHEMBL4727174 0.72 ALPL (0.51) ALPLKDM4EHSD17B10ALDH1A1NR1H4
SCHEMBL13539296 0.72 ALPL (0.78) ALPLKDM4EHSD17B10ALDH1A1NR1H4
SCHEMBL28898102 0.72 ALPL (0.78) ALPLKDM4EHSD17B10ALDH1A1NR1H4
SCHEMBL4728616 0.71 ALPL (0.50) ALPLKDM4EHSD17B10ALDH1A1NR1H4

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
WO-2009010824-A1 DIHYDROCHROMENOPYRAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-01-22 WO claimed