SCHEMBL8021476

SCHEMBL8021476

COc1cc(-c2ccc(OC)c(C(F)(F)F)c2)ccc1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.52
PDCD1 Q15116 2/20 0.51
CD274 Q9NZQ7 2/20 0.51
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL8021656 0.88 S1PR1 (0.50) S1PR1PDCD1CD274HTR2AHTR2C
SCHEMBL7943341 0.83 PDCD1 (0.52) PDCD1CD274KIF11
SCHEMBL4050630 0.79 PDCD1 (0.52) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL31321848 0.76 PDCD1 (0.46) PDCD1CD274HTR2APDE4APDE4B
SCHEMBL1437536 0.76 S1PR1 (0.58) S1PR1HTR2AHTR2CRXRARXRB
SCHEMBL31435356 0.76 S1PR1 (0.58) S1PR1HTR2AHTR2CRXRARXRB
SCHEMBL6498758 0.76 PDCD1 (0.46) PDCD1CD274HTR2APDE4APDE4B
SCHEMBL6497164 0.76 PDCD1 (0.62) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL28744670 0.76 ABCB1 (0.50) S1PR1CTSSCTSKRXRARXRB
SCHEMBL8028294 0.76 PDCD1 (0.58) PDCD1CD274PDE4APDE4BPDE4C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed