SCHEMBL21691070

SCHEMBL21691070

CC(O)c1ccc(I)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
TRPA1 O75762 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRB1 P18505 1/20 0.40
ERN1 O75460 1/20 0.36
TYR P14679 1/20 0.36
PDE2A O00408 1/20 0.35
TTR P02766 1/20 0.32
SRC P12931 1/20 0.31
RECQL P46063 4/20 0.31
TDP1 Q9NUW8 4/20 0.31
MAPT P10636 4/20 0.31
KDM4E B2RXH2 3/20 0.31
KMT2A Q03164 2/20 0.31
ALOX15 P16050 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
SCHEMBL21756935 0.84 LMNA (0.59) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4905949 0.78 TSHR (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL31618874 0.77 TYR (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL950881 0.77 TYR (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL15452247 0.77 TYR (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL1349872 0.77 PDE2A (0.42) ADRA1AGABRA1GABRB2GABRB1PDE2A
SCHEMBL19028073 0.76 PTGS2 (0.45) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL20928551 0.76 ALOX15 (0.44) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL6152512 0.74 CASP1 (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL30809607 0.74 CA3 (0.48) LMNATRPA1CHRM1SLC6A2ADRA1A

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-3605091-A1 KIT, METHOD AND REAGENT FOR MEASURING MEASUREMENT TARGET SUBSTANCE FUJIFILM Corporation (JP) 2020-02-05 EP disclosed