SCHEMBL9198549

SCHEMBL9198549

O=c1oc(CCCCC2CCCOC2)cc(O)c1C(c1ccccc1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 1/20 0.33
ELANE P08246 3/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
CEL P19835 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
FEN1 P39748 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL9196131 1.00 MEN1 (0.34) MEN1KMT2AMAPK1ELANECYSLTR2
SCHEMBL9198902 0.95 PPARG (0.32) MAPK1ELANEPPARGPPARAMAPT
SCHEMBL9198707 0.90 CEL (0.41) MEN1KMT2AMAPK1CYSLTR2CYSLTR1
SCHEMBL9197301 0.89 ELANE (0.34) MEN1KMT2AELANECYSLTR2CYSLTR1
SCHEMBL6173632 0.87 CEL (0.40) MEN1KMT2AMAPK1CYSLTR2CYSLTR1
SCHEMBL6175129 0.86 ELANE (0.33) MEN1KMT2AELANECELMAPT
SCHEMBL9199733 0.85 ELANE (0.33) ELANEMAPT
SCHEMBL9193978 0.85 MAPK1 (0.34) MEN1KMT2AMAPK1FEN1
SCHEMBL9197893 0.85 HPGD (0.40) MEN1KMT2ANPC1RAB9A
SCHEMBL9196698 0.83 MEN1 (0.40) MEN1KMT2ANPC1RAB9A

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-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
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 disclosed