SCHEMBL7903281

SCHEMBL7903281

CC(=O)c1c(CC(N)C(=O)O)cc(I)c(Oc2ccc(O)c(I)c2)c1I

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.69
THRA P10827 10/20 0.69
LMNA P02545 6/20 0.69
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
PPARG P37231 4/20 0.69
PCNA P12004 4/20 0.69
ABCB11 O95342 2/20 0.69
GABRA1 P14867 2/20 0.69
GABRA2 P47869 2/20 0.69
GABRB2 P47870 2/20 0.69
CYP2D6 P10635 1/20 0.69
TSHR P16473 1/20 0.69
GABRP O00591 1/20 0.69
GABRD O14764 1/20 0.69
F2 P00734 1/20 0.69
GABRB1 P18505 1/20 0.69
GABRG2 P18507 1/20 0.69
GABRB3 P28472 1/20 0.69
ADORA1 P30542 1/20 0.69

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
SCHEMBL21243788 0.87 THRB (0.60) THRBTHRALMNAMEN1KMT2A
SCHEMBL14855704 0.83 THRB (0.56) THRBTHRALMNAMEN1KMT2A
Detrothyronine SCHEMBL8301 0.82 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Detrothyronine SCHEMBL29383803 0.82 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Detrothyronine SCHEMBL29651848 0.82 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Liothyronine SCHEMBL3287278 0.82 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Liothyronine SCHEMBL8300 0.82 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Rathyronine SCHEMBL123365 0.82 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Liothyronine SCHEMBL29390909 0.82 THRB (1.00) THRBTHRALMNAMEN1KMT2A
Detrothyronine SCHEMBL21749451 0.81 THRB (0.97) THRBTHRALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143925-A1 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS Yu, Ruey J., Dr. (US) 2001-10-17 EP disclosed
WO-2000040217-A1 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS YUGENIC LIMITED PARTNERSHIP (US) 2000-07-13 WO disclosed