SCHEMBL7705584

SCHEMBL7705584

CC(C)(C)OC(=O)Oc1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.53
KDM1A O60341 1/20 0.40
NR1H2 P55055 2/20 0.36
CA2 P00918 1/20 0.35
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
RAB9A P51151 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
SCHEMBL4060624 0.80 ELANE (0.64) ELANEKDM1ACA2MAPTTDP1
SCHEMBL7705761 0.79 CA12 (0.49) ELANECA2TDP1LMNASMN1; SMN2
SCHEMBL4059798 0.79 ELANE (0.72) ELANEKDM1ANR1H2CA2MEN1
SCHEMBL7708791 0.78 ELANE (0.50) ELANEKDM1ANR1H2CA2MAPT
SCHEMBL4061370 0.78 ELANE (0.81) ELANEKDM1ACA2MAPTTDP1
SCHEMBL7705585 0.77 ELANE (0.60) ELANEKDM1ANR1H2CA2MEN1
SCHEMBL3963461 0.77 RIPK1 (0.39) MEN1KMT2A
SCHEMBL6607118 0.76 CYP17A1 (0.49)
SCHEMBL82142 0.76 ELANE (0.67) ELANEKDM1ACA2MAPTTDP1
SCHEMBL11771781 0.76 ELANE (0.67) ELANEKDM1ACA2MAPTTDP1

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