SCHEMBL7129323

SCHEMBL7129323

[CH2]C(C)(O)c1ccc(I)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
ESRRG P62508 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
SHBG P04278 1/20 0.32
TPMT P51580 1/20 0.32

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
SCHEMBL10963 0.79 APP (0.39) APPMEN1KMT2AESR1ESR2
SCHEMBL11854520 0.77 TSHR (0.55) MEN1KMT2AESR1ESR2HPGD
SCHEMBL7396666 0.75 APP (0.37) APPTRPV1
SCHEMBL5758950 0.75 APP (0.37) APPMEN1KMT2AESR1ESR2
SCHEMBL1253796 0.74 ALDH1A1 (0.48) KMT2AESR1ESR2CYP3A4TSHR
SCHEMBL13141988 0.73 ESR1 (0.52) APPMEN1KMT2AESR1ESR2
SCHEMBL3096756 0.73 SLC2A1 (0.46) APPTRPV1TPMTCA1CA2
SCHEMBL1538300 0.73 APP (0.42) APPMEN1KMT2AESR1ESR2
SCHEMBL30157 0.73 APP (0.57) APPHPGDHSD17B10LMNATYR
SCHEMBL15108873 0.73 APP (0.42) APPESR1ESR2HPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240677-C Monofluoroalkyl derivatives LILLY CO ELI (US) 2006-02-08 CN disclosed
EP-1313719-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
CN-1349497-A Monofluoroalkyl derivatives LILLY CO ELI (US) 2002-05-15 CN disclosed
WO-2002014275-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2002-02-21 WO disclosed