SCHEMBL7053473

SCHEMBL7053473

CC1=C[CH]CC(C)=C1Oc1ccc(O)c(CN(Cc2ccccc2)C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
BCHE P06276 2/20 0.32
PTGES O14684 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
TSHR P16473 1/20 0.31
BCL2L1 Q07817 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
SCHEMBL7057567 0.72 THRB (0.38) THRATHRB
SCHEMBL7057569 0.72 THRB (0.41) THRATHRB
SCHEMBL7025061 0.70 THRA (0.60) THRATHRB
SCHEMBL7124400 0.68 THRA (0.54) THRATHRBALDH1A1
SCHEMBL3635237 0.65 TSHR (0.54) THRBALDH1A1HDAC3HDAC4HDAC1
SCHEMBL19762005 0.61 ALDH1A1 (0.56) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL31612527 0.61 CYP2C19 (0.55) HTTALDH1A1POLBTSHR
SCHEMBL7449929 0.60 GABRA1 (0.53) THRATHRBALDH1A1MCL1
SCHEMBL14025237 0.57 SLC6A2 (0.44) ALDH1A1TSHR
SCHEMBL921473 0.57 ESR1 (0.52) THRATHRBHTTHSP90AA1

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