SCHEMBL10880452

SCHEMBL10880452

CCOC(=O)C(N)Cc1ccc(Oc2ccc(O)cc2)cc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
PCNA P12004 7/20 0.48
THRB P10828 5/20 0.42
THRA P10827 3/20 0.42
LIG1 P18858 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
PPARG P37231 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
ABCB11 O95342 1/20 0.41
F2 P00734 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
ADORA1 P30542 1/20 0.41

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
Hydrochloric Acid SCHEMBL11200753 0.99 SCN9A (0.47) SCN9APCNATHRBTHRALIG1
Alcohol SCHEMBL5573250 0.85 PCNA (0.60) PCNATHRBTHRALIG1MEN1
SCHEMBL10883956 0.84 PCNA (0.46) SCN9APCNATHRBTHRALIG1
SCHEMBL30693721 0.84 PCNA (0.66) PCNATHRBTHRALIG1MEN1
SCHEMBL188397 0.84 PCNA (0.66) PCNATHRBTHRALIG1MEN1
Carbamic Acid SCHEMBL7215408 0.82 PCNA (0.63) PCNATHRBTHRALIG1MEN1
SCHEMBL10680951 0.81 SLC7A5 (0.53) SCN9APCNAPPARGLTA4H
SCHEMBL15962606 0.80 CA12 (0.41) SCN9APCNAKMT2ALMNATSHR
Sulfuric Acid SCHEMBL8910589 0.80 PCNA (0.60) PCNATHRBTHRALIG1MEN1
Hydrochloric Acid SCHEMBL10531318 0.76 MEN1 (0.48) PCNATHRBTHRAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078952-B1 N-AMINOALKYL IODOTHYRONINE DERIVATIVES, IODOTHYRONINE IMMUNOGENS AND ANTIBODIES MILES LABORATORIES, INC. (US) 1986-02-26 EP disclosed
US-4399121-A Iodothyronine immunogens and antibodies MILES LABORATORIES, INC. (US) 1983-08-16 US disclosed
EP-0079489-A1 Methotrexate-labeled iodothyronine conjugates and method, reagent means and test device for the determination of iodothyronine in or iodothyronine uptake of a liquid sample MILES LABORATORIES, INC. (US) 1983-05-25 EP disclosed
EP-0078952-A1 N-aminoalkyl iodothyronine derivatives, iodothyronine immunogens and antibodies MILES LABORATORIES, INC. (US) 1983-05-18 EP disclosed
US-4358604-A ANTIBODIES-USEFUL IN IMMUNOASSAY MILES LABORATORIES, INC. (US) 1982-11-09 US disclosed