SCHEMBL9197301

SCHEMBL9197301

O=c1oc(CCCCC2CC2)cc(O)c1C(c1ccccc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33
CEL P19835 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
HTR2B P41595 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
CYP2C9 P11712 5/20 0.32
VKORC1 Q9BQB6 2/20 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
SCHEMBL6175129 0.97 ELANE (0.33) ELANEMAPTMEN1KMT2AHCAR2
SCHEMBL9198707 0.95 CEL (0.41) MEN1KMT2ACELGPR84CYSLTR2
SCHEMBL6174784 0.92 MEN1 (0.35) MEN1KMT2AGPR84CYP2C9VKORC1
SCHEMBL6173632 0.92 CEL (0.40) MEN1KMT2ACELGPR84CYSLTR2
SCHEMBL9198902 0.90 PPARG (0.32) ELANEMAPT
SCHEMBL9199733 0.89 ELANE (0.33) ELANEMAPTHTR2BCYP2C9VKORC1
SCHEMBL9198549 0.89 MEN1 (0.34) ELANEMAPTMEN1KMT2ACEL
SCHEMBL9196131 0.89 MEN1 (0.34) ELANEMAPTMEN1KMT2ACEL
SCHEMBL6173304 0.89 HTR2B (0.43) ELANEGPR84HTR2B
SCHEMBL9201135 0.88 ELANE (0.47) ELANEMAPTMEN1KMT2A

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