SCHEMBL4637618

SCHEMBL4637618

CCS(=O)(=O)c1ccc(Oc2c[c]cc(OCCN(C)C)c2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 2/20 0.35
SOS1 Q07889 1/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1B Q00975 2/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
THRA P10827 1/20 0.34
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE1C Q14123 1/20 0.34

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
SCHEMBL4637496 0.83 PTGDR2 (0.40) ALDH1A1PTGDR2MAPT
SCHEMBL4639087 0.83 EPAS1 (0.44) ALDH1A1PTGDR2SOS1
SCHEMBL2065827 0.81 PTGDR2 (0.45) KDM4EALDH1A1PTGDR2
SCHEMBL2066502 0.81 KDM4E (0.42) KDM4EALDH1A1PTGDR2MAPTTHRB
SCHEMBL4637399 0.80 EPAS1 (0.47) ALDH1A1PTGDR2SOS1
SCHEMBL4638008 0.80 PTGDR2 (0.41) ALDH1A1PTGDR2
SCHEMBL4637476 0.77 SCN9A (0.42) PTGDR2
SCHEMBL4637590 0.72 PTGDR2 (0.46) PTGDR2SOS1
SCHEMBL4637479 0.71 PTGDR2 (0.41) ALDH1A1PTGDR2MAPTTHRB
SCHEMBL4637503 0.71 EPAS1 (0.49) PTGDR2

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-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed