SCHEMBL7058949

SCHEMBL7058949

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 1/20 0.37
BACE1 P56817 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
SCHEMBL6275027 0.98 THRB (0.39) HPGDTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7058944 0.90 HPGD (0.43) HPGDTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6656178 0.84 THRA (0.55) THRATHRB
SCHEMBL7041132 0.83 MEN1 (0.52) HPGDTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6658108 0.83 THRB (0.46) THRATHRB
SCHEMBL6665930 0.83 THRA (0.56) THRATHRB
SCHEMBL7037801 0.81 THRB (0.40) THRATHRB
SCHEMBL1643216 0.81 THRA (0.57) THRATHRB
SCHEMBL4962633 0.81 THRB (0.57) THRATHRB
SCHEMBL7061231 0.81 THRA (0.46) THRATHRB

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