SCHEMBL9199797

SCHEMBL9199797

CCC(CC1CCCOC1)c1cc(O)c(CCCc2ccccc2)c(=O)o1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
PDE4D Q08499 4/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2B P41595 2/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PGAM1 P18669 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HTR2C P28335 1/20 0.33
EPHX2 P34913 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL6174263 0.81 CYP2C9 (0.46) MEN1KMT2A
SCHEMBL9199293 0.79 HTR2B (0.43) CNR1CNR2HTR2BPGAM1SMN1; SMN2
SCHEMBL9199802 0.78 HTR2B (0.41) PDE4DRAB9AMEN1KMT2AHTR2B
SCHEMBL6174251 0.77 CYP2C9 (0.38)
SCHEMBL9198756 0.76 HTR2B (0.43) CNR1CNR2HTR2BPGAM1HTR2C
SCHEMBL9196600 0.74 HTR2B (0.46) HTR2BPGAM1SMN1; SMN2HTR2C
SCHEMBL9201597 0.74 PDE4D (0.33) PDE4DRAB9AMEN1KMT2APDE4A
SCHEMBL7439058 0.74 MEN1 (0.34) RAB9AMEN1KMT2ANPC1
SCHEMBL7440421 0.74 CYP2C9 (0.31)
SCHEMBL6176061 0.72 CYP2C9 (0.39)

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
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP claimed