SCHEMBL7055355

SCHEMBL7055355

CCCCCC(=O)Nc1cc(Oc2c(C)cc(N)cc2C)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.47
THRA P10827 6/20 0.47
EP300 Q09472 1/20 0.46
GAA P10253 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 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
TRPV1 Q8NER1 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL7055352 0.89 THRB (0.50) THRBTHRAEP300GAATDP1
SCHEMBL7034348 0.85 THRA (0.58) THRBTHRAGAA
SCHEMBL23412892 0.75 GAA (0.55) EP300GAATDP1L3MBTL1ALDH1A1
SCHEMBL11508744 0.75 SMN1; SMN2 (0.56) EP300GAAL3MBTL1ALDH1A1TRPV1
SCHEMBL13412596 0.74 GAA (0.74) EP300GAATDP1L3MBTL1ALDH1A1
SCHEMBL13412608 0.74 GAA (0.74) EP300GAATDP1L3MBTL1ALDH1A1
SCHEMBL13412598 0.74 GAA (0.74) EP300GAATDP1L3MBTL1ALDH1A1
SCHEMBL13412605 0.74 GAA (0.74) EP300GAATDP1L3MBTL1ALDH1A1
SCHEMBL13412593 0.74 GAA (0.74) EP300GAATDP1L3MBTL1ALDH1A1
SCHEMBL13412595 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