SCHEMBL8216690

SCHEMBL8216690

CC(C)(C)C(=O)COc1ccccc1[I+]c1ccccc1OCC(=O)C(C)(C)C.O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
AR P10275 4/20 0.34
VDR P11473 3/20 0.34
KMT2A Q03164 2/20 0.32
HSP90AA1 P07900 1/20 0.31
HSD11B1 P28845 1/20 0.31
LMNA P02545 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
DRD1 P21728 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
SCHEMBL8206336 0.85 ALDH1A1 (0.44) ALDH1A1HTTARVDRKMT2A
SCHEMBL7708732 0.81 ALDH1A1 (0.45) ALDH1A1HTTARVDRKMT2A
SCHEMBL7702916 0.81 ALDH1A1 (0.59) ALDH1A1HTTARVDRKMT2A
SCHEMBL7708218 0.67 ELANE (0.33) ALDH1A1
SCHEMBL7708128 0.67 GPR3 (0.34) HTTLMNA
SCHEMBL19406532 0.66 ALDH1A1 (0.57) ALDH1A1HTTARVDRKMT2A
SCHEMBL7708752 0.66 ALDH1A1 (0.45) ALDH1A1HTTARVDRKMT2A
SCHEMBL7708778 0.66 ELANE (0.32)
SCHEMBL9576840 0.66 ALDH1A1 (0.60) ALDH1A1HTTVDRKMT2ALMNA
SCHEMBL7708628 0.65 HSD11B1 (0.38) ALDH1A1HSD11B1

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
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed