SCHEMBL7677871

SCHEMBL7677871

COC(=O)Cc1cc(Br)c(Oc2cc(C(C)C)c(OC)cc2C(=O)c2cccc(OC(C)=O)c2)c(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.66
THRA P10827 14/20 0.38
THRB P10828 14/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7053515 0.89 NR3C1 (0.72) NR3C1THRATHRBSMN1; SMN2MAPT
SCHEMBL7681978 0.89 NR3C1 (0.71) NR3C1THRATHRBNPC1RAB9A
SCHEMBL5630623 0.88 NR3C1 (0.85) NR3C1THRATHRBNPC1ALDH1A1
SCHEMBL7054017 0.87 NR3C1 (0.69) NR3C1THRATHRBCYP1A2CYP3A4
SCHEMBL7052864 0.87 NR3C1 (0.69) NR3C1THRATHRBNPC1ALDH1A1
SCHEMBL7688423 0.87 NR3C1 (0.69) NR3C1THRATHRBCYP1A2CYP3A4
SCHEMBL7053405 0.85 NR3C1 (0.68) NR3C1THRATHRBNPC1HTT
SCHEMBL7054015 0.85 NR3C1 (0.66) NR3C1THRATHRBALDH1A1HTT
SCHEMBL7052767 0.84 NR3C1 (0.62) NR3C1THRATHRBALDH1A1SMN1; SMN2
SCHEMBL7687151 0.84 NR3C1 (0.62) NR3C1THRATHRBMAPT

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
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US disclosed