SCHEMBL29135014

SCHEMBL29135014

N[C@H](Cc1ccc(Oc2ccc(O)c(I)c2)cc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.77
MEN1 O00255 7/20 0.77
KMT2A Q03164 7/20 0.77
THRA P10827 5/20 0.77
LMNA P02545 5/20 0.77
PPARG P37231 3/20 0.77
PCNA P12004 2/20 0.77
CYP2D6 P10635 1/20 0.77
TSHR P16473 1/20 0.77
GABRP O00591 1/20 0.77
GABRD O14764 1/20 0.77
ABCB11 O95342 1/20 0.77
F2 P00734 1/20 0.77
GABRA1 P14867 1/20 0.77
GABRB1 P18505 1/20 0.77
GABRG2 P18507 1/20 0.77
GABRB3 P28472 1/20 0.77
ADORA1 P30542 1/20 0.77
GABRA5 P31644 1/20 0.77
GABRA3 P34903 1/20 0.77

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
SCHEMBL29651864 1.00 THRB (0.77) THRBMEN1KMT2ATHRALMNA
SCHEMBL677617 1.00 THRB (0.77) THRBMEN1KMT2ATHRALMNA
SCHEMBL1170063 1.00 THRB (0.77) THRBMEN1KMT2ATHRALMNA
SCHEMBL14574802 0.90 THRB (0.70) THRBMEN1KMT2ATHRALMNA
SCHEMBL14575018 0.90 THRB (0.70) THRBMEN1KMT2ATHRALMNA
SCHEMBL14574800 0.90 THRB (0.70) THRBMEN1KMT2ATHRALMNA
SCHEMBL677606 0.88 MEN1 (0.74) THRBMEN1KMT2ATHRALMNA
SCHEMBL2139921 0.88 MEN1 (0.74) THRBMEN1KMT2ATHRALMNA
SCHEMBL9619480 0.88 MEN1 (0.74) THRBMEN1KMT2ATHRALMNA
Diiodothyronine SCHEMBL677645 0.87 MEN1 (0.78) THRBMEN1KMT2ATHRALMNA

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
CN-117554536-B Simultaneous analysis method for 15 thyroid hormones in environmental water sample 北京林业大学 2024-03-19 CN claimed
CN-117554536-A Simultaneous analysis method for 15 thyroid hormones in environmental water sample 北京林业大学 2024-02-13 CN claimed
CN-114609266-B Application of marker in preparation of diagnostic reagent for thyroid related diseases 徐州医科大学 2023-03-24 CN disclosed