SCHEMBL5309388

SCHEMBL5309388

COC(=O)C(F)Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2Cl)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4A O75164 1/20 0.36
MAOB P27338 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5309978 1.00 THRA (0.39) THRATHRBMAPTPOLBALDH1A1
SCHEMBL14541043 0.90 THRA (0.39) THRATHRBMAPTPOLBALDH1A1
SCHEMBL14540667 0.90 THRA (0.40) THRATHRBKDM4AMAOBPDCD1
SCHEMBL14540666 0.85 THRA (0.37) THRATHRBMAPTPOLBALDH1A1
SCHEMBL14541041 0.84 THRA (0.38) THRATHRBMAPTPOLBALDH1A1
SCHEMBL14540986 0.84 THRA (0.34) THRATHRBMAPTPOLBALDH1A1
SCHEMBL5314974 0.84 THRA (0.41) THRATHRBMAPTALDH1A1PDCD1
SCHEMBL5359578 0.84 THRA (0.41) THRATHRBMAPTALDH1A1PDCD1
SCHEMBL14541012 0.83 THRA (0.41) THRATHRBMAPTALDH1A1KDM4A
SCHEMBL14540614 0.80 THRA (0.38) THRATHRBALDH1A1CYP1A2CYP3A4

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
WO-2007039125-A2 AN OPTICALLY ACTIVE THYROID RECEPTOR AGONIST AND OPTICALLY ACTIVE KEY INTERMEDIATES IN ITS PRODUCTION KARO BIO AB (SE) 2007-04-12 WO disclosed