SCHEMBL7130898

SCHEMBL7130898

CCCc1n[nH]c2ccc(Oc3c(C)cc(N(CC)C(=O)C(=O)O)cc3C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.38
THRB P10828 5/20 0.38
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
TTK P33981 4/20 0.32
MAPK8 P45983 3/20 0.32
HAO1 Q9UJM8 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALOX15 P16050 2/20 0.31
USP2 O75604 2/20 0.31
POLB P06746 2/20 0.31
ALOX12 P18054 2/20 0.31
CDK2 P24941 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7135882 0.94 THRA (0.43) THRATHRBHSP90AA1HSP90AB1PRKAG1
SCHEMBL7140230 0.80 THRA (0.53) THRATHRBTTKMAPK8
SCHEMBL7088676 0.80 THRA (0.56) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL7138299 0.78 THRA (0.38) THRATHRBPRKAG1PRKAA1PRKAB1
SCHEMBL7141223 0.78 CNR2 (0.41) THRATHRBTTKMEN1KMT2A
SCHEMBL7130895 0.75 THRA (0.66) THRATHRB
SCHEMBL7133145 0.74 THRA (0.60) THRATHRBTTKMAPK8
SCHEMBL7085855 0.73 THRA (0.48) THRATHRBMEN1KMT2AALDH1A1
SCHEMBL7230331 0.72 THRB (0.51) THRATHRBTTKMAPK8TSHR
SCHEMBL7138386 0.71 THRA (0.43) THRATHRBMEN1KMT2AMAPT

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-1324987-A1 INDAZOLES WITH THYROID HORMON LIKE ACTIVITY, A PROCESS FOR ITS PREPARATION AND ITS USE IN PHARMACEUTICAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2003-07-09 EP disclosed
WO-2002022586-A1 INDAZOLES HAVING AN ACTION SIMILAR TO THAT OF A THYROID HORMONE, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE IN MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-21 WO disclosed