SCHEMBL4069438

SCHEMBL4069438

COc1cc(OC)c(C(C)C)cc1-c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
GAA P10253 2/20 0.50
GFER P55789 1/20 0.50
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
P2RX3 P56373 5/20 0.41
P2RX2 Q9UBL9 5/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
FGB P02675 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA2A P29274 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL4061577 0.80 P2RX3 (0.48) POLBGAAGFERP2RX3P2RX2
SCHEMBL27316536 0.78 P2RX3 (0.53) POLBGAAGFERP2RX3P2RX2
SCHEMBL4239206 0.78 IRAK4 (0.44) POLBALDH1A1P2RX3P2RX2MEN1
SCHEMBL397150 0.77 ALDH1A1 (0.44) POLBGAAALDH1A1TDP1ADRA2B
SCHEMBL4246550 0.77 BRD4 (0.52) ALDH1A1L3MBTL1P2RX3P2RX2MEN1
SCHEMBL4060627 0.75 P2RX3 (0.45) POLBGAAGFERALDH1A1ADRA2B
SCHEMBL14616007 0.73 PDCD1 (0.46) POLBGAAALDH1A1TDP1ADRA2B
SCHEMBL13848266 0.73 L3MBTL1 (0.54) ALDH1A1PTGS1L3MBTL1MEN1KMT2A
SCHEMBL13848278 0.73 PARP14 (0.51) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL17454722 0.73 ALDH1A1 (0.59) ALDH1A1PTGS1L3MBTL1ADORA2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed