SCHEMBL7055352

SCHEMBL7055352

CCCCCC(=O)Nc1cc(Oc2c(C)cc([NH])cc2C)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.50
THRA P10827 11/20 0.50
EP300 Q09472 1/20 0.46
GAA P10253 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7055355 0.89 THRB (0.47) THRBTHRAEP300GAATDP1
SCHEMBL7034348 0.85 THRA (0.58) THRBTHRAGAA
SCHEMBL7058733 0.83 THRB (0.59) THRBTHRA
SCHEMBL11508744 0.75 SMN1; SMN2 (0.56) EP300GAAL3MBTL1ALDH1A1
SCHEMBL7055219 0.74 KCNQ2 (0.46) THRBTHRATDP1L3MBTL1ALDH1A1
SCHEMBL13412598 0.74 GAA (0.74) EP300GAATDP1L3MBTL1ALDH1A1
SCHEMBL13412596 0.74 GAA (0.74) EP300GAATDP1L3MBTL1ALDH1A1
SCHEMBL13412597 0.74 GAA (0.74) EP300GAATDP1L3MBTL1ALDH1A1
SCHEMBL13412605 0.74 GAA (0.74) EP300GAATDP1L3MBTL1ALDH1A1
SCHEMBL13412593 0.74 GAA (0.74) EP300GAATDP1L3MBTL1ALDH1A1

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