SCHEMBL7705593

SCHEMBL7705593

COc1cc[c]c(-c2ccc(C(C)(C)C)cc2)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.35
KIF11 P52732 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
FGFR2 P21802 1/20 0.31
LMNA P02545 2/20 0.31
TYR P14679 1/20 0.31
DGAT1 O75907 1/20 0.30
ALOX15 P16050 1/20 0.30
APEX1 P27695 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7705602 0.81 ACHE (0.35) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL7707636 0.81 ABCB1 (0.32)
SCHEMBL7708151 0.80 CRHR1 (0.38) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL7702832 0.80 MGAM (0.46) HSP90AA1
SCHEMBL7071376 0.80 PDE4B (0.39) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5782733 0.79 MAPT (0.40) TDO2KIF11ALDH1A1HIF1AMAPT
SCHEMBL7702845 0.77 PDGFRB (0.38) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL1623583 0.75 MAPT (0.45) TDO2KIF11ALDH1A1HIF1AMAPT
SCHEMBL7708620 0.75 PTGS2 (0.34) ALDH1A1MAPTTSHRTP53SMN1; SMN2
SCHEMBL11802233 0.75 CYP1A2 (0.41) ALDH1A1MEN1KMT2ALMNA

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
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed