SCHEMBL7058944

SCHEMBL7058944

Cc1cc([NH])cc(C)c1Oc1ccc(O)c(C(=O)N(C)C2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL7058949 0.90 HPGD (0.42) HPGDTSHRMEN1KMT2ANPC1
SCHEMBL6275027 0.88 THRB (0.39) HPGDTSHRMEN1KMT2ANPC1
SCHEMBL6656178 0.85 THRA (0.55) THRBTHRA
SCHEMBL7041132 0.84 MEN1 (0.52) HPGDTSHRMEN1KMT2ANPC1
SCHEMBL6665930 0.83 THRA (0.56) THRBTHRA
SCHEMBL7037801 0.82 THRB (0.40) THRBTHRA
SCHEMBL1643216 0.82 THRA (0.57) THRBTHRA
SCHEMBL4962633 0.82 THRB (0.57) THRBTHRA
SCHEMBL7061231 0.81 THRA (0.46) THRBTHRA
SCHEMBL4961838 0.81 THRB (0.47) THRBTHRA

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-1307426-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS Bayer Aktiengesellschaft (DE) 2003-05-07 EP disclosed
WO-2002012169-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS BAYER AKTIENGESELLSCHAFT (DE) 2002-02-14 WO disclosed