SCHEMBL7702916

SCHEMBL7702916

CC(C)(C)C(=O)COc1ccccc1[I+]c1ccccc1OCC(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
VDR P11473 4/20 0.47
AR P10275 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7708732 0.82 ALDH1A1 (0.45) ALDH1A1HTTVDRARKMT2A
SCHEMBL8216690 0.81 ALDH1A1 (0.44) ALDH1A1HTTVDRARKMT2A
SCHEMBL20059975 0.79 ALDH1A1 (0.62) ALDH1A1HTTVDRARSMN1; SMN2
SCHEMBL9576840 0.78 ALDH1A1 (0.60) ALDH1A1HTTVDRSMN1; SMN2POLB
SCHEMBL7708593 0.77 ALDH1A1 (0.59) ALDH1A1HTTVDRARSMN1; SMN2
SCHEMBL2370023 0.75 ALDH1A1 (0.57) ALDH1A1HTTVDRARSMN1; SMN2
SCHEMBL19406532 0.75 ALDH1A1 (0.57) ALDH1A1HTTVDRARSMN1; SMN2
SCHEMBL421801 0.73 ALOX15 (0.61) ALDH1A1HTTSMN1; SMN2KMT2ALMNA
SCHEMBL11498917 0.72 ALDH1A1 (0.54) ALDH1A1HTTVDRARSMN1; SMN2
SCHEMBL11498916 0.72 ALDH1A1 (0.54) ALDH1A1HTTVDRARSMN1; 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 1 patent. 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