SCHEMBL10495696

SCHEMBL10495696

N#Cc1c(I)cc(I)c(OCC(=O)O)c1I

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.37
KMT2A Q03164 1/20 0.37
THRA P10827 4/20 0.36
THRB P10828 4/20 0.36
CD69 Q07108 3/20 0.36
ELANE P08246 1/20 0.35
ACMSD Q8TDX5 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL2113590 0.79 PTGDR2 (0.46) HPGDPTGDR2KMT2ATHRATHRB
SCHEMBL8413020 0.78 KMT2A (0.42) HPGDKMT2ATHRATHRBCD69
SCHEMBL10495757 0.73 THRA (0.40) KMT2ATHRATHRBCD69ELANE
SCHEMBL14040248 0.72 THRA (0.46) KMT2ATHRATHRBCD69ELANE
SCHEMBL10495694 0.72 THRA (0.39) KMT2ATHRATHRBCD69ELANE
SCHEMBL14139324 0.71 THRA (0.41) KMT2ATHRATHRBCD69ELANE
SCHEMBL17643210 0.71 KMT2A (0.48) KMT2ATHRATHRBCD69ELANE
SCHEMBL10495772 0.70 GPR17 (0.38) HPGDKMT2ATHRATHRBALDH1A1
SCHEMBL8414572 0.70 KDM4E (0.40) HPGDKMT2ATHRATHRBCD69
SCHEMBL22359890 0.69 THRA (0.50) HPGDPTGDR2KMT2ATHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4869913-A DIETETICS SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
US-4522839-A 3-Substituted 2,4,6-trihalogenated benzamides as sweetening agents SCHERING AKTIENGESELLSCHAFT (DE) 1985-06-11 US disclosed
US-4429152-A DIABETES, DIETETICS SCHERING, AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed