SCHEMBL11042279

SCHEMBL11042279

CCOC(=O)C=C1CCC(C)C(C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HCAR2 Q8TDS4 1/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL11042278 1.00 ESR2 (0.52) ESR2JAK2JAK1HCAR2HPGD
SCHEMBL5084406 0.88 ESR2 (0.48) ESR2JAK2JAK1HCAR2HPGD
SCHEMBL5690699 0.88 ESR2 (0.48) ESR2JAK2JAK1HCAR2HPGD
SCHEMBL8334688 0.88 ESR2 (0.48) ESR2JAK2JAK1HCAR2HPGD
SCHEMBL5690516 0.88 ESR2 (0.48) ESR2JAK2JAK1HCAR2HPGD
SCHEMBL5084409 0.88 ESR2 (0.48) ESR2JAK2JAK1HCAR2HPGD
SCHEMBL8335098 0.85 ESR2 (0.54) ESR2JAK2JAK1HCAR2HPGD
SCHEMBL5690202 0.85 ESR2 (0.54) ESR2JAK2JAK1HCAR2HPGD
SCHEMBL5690198 0.85 ESR2 (0.54) ESR2JAK2JAK1HCAR2HPGD
SCHEMBL5690194 0.85 ESR2 (0.54) ESR2JAK2JAK1HCAR2HPGD

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
US-4457862-A DIKETONE PERFUMES GIVAUDAN CORPORATION (US) 1984-07-03 US disclosed