SCHEMBL4058858

SCHEMBL4058858

CCc1ccc(-c2ocnc2-c2cc(C(C)C)c(OC)cc2OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
MAPK14 Q16539 11/20 0.35
IDO1 P14902 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOD2 Q9HC29 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL4060653 0.91 TUBB4A (0.38) P2RX3P2RX2MAPK14LMNAMAPT
SCHEMBL4241628 0.86 P2RX3 (0.49) P2RX3P2RX2MAPK14
SCHEMBL4064716 0.80 HSP90AA1 (0.41) MAPK14
SCHEMBL13848091 0.79 IDO1 (0.39) IDO1HPGD
SCHEMBL4070477 0.78 TUBB4A (0.44) P2RX3P2RX2MAPK14HPGDMAPK1
SCHEMBL13848290 0.78 HDAC1 (0.43) LMNAMAPTHPGDMAPK1HSD17B10
SCHEMBL4071820 0.77 P2RX3 (0.49) P2RX3P2RX2MAPK14TUBB4ATUBB
SCHEMBL4246535 0.76 MAPK14 (0.43) P2RX3P2RX2MAPK14LMNATUBB4A
SCHEMBL4063295 0.76 MAPT (0.46) LMNAMAPTHPGDMAPK1HSD17B10
SCHEMBL4068033 0.75 MAPT (0.40) MAPK14LMNAMAPTHPGDMAPK1

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