SCHEMBL28250022

SCHEMBL28250022

C/C=C(/C)C(=O)OCC(C)C.CC(=O)OCCC(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
PKM P14618 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.33
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 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
SCHEMBL872902 0.86 CYP19A1 (0.41) ALOX15TSHRPTPN1CA12CA1
SCHEMBL3507005 0.86 CYP19A1 (0.41) ALOX15TSHRPTPN1CA12CA1
SCHEMBL872903 0.86 CYP19A1 (0.41) ALOX15TSHRPTPN1CA12CA1
SCHEMBL873047 0.86 TSHR (0.59) ALOX15TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL873046 0.86 TSHR (0.59) ALOX15TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL1473218 0.86 TSHR (0.59) ALOX15TSHRTDP1ALDH1A1SMN1; SMN2
Acetic Acid Isobutyl Ester SCHEMBL16343513 0.84 ALOX15 (0.52) ALOX15TSHRPTPN1CA12CA1
SCHEMBL901254 0.80 ALOX15 (0.53) ALOX15TSHRPTPN1CA12CA1
SCHEMBL27086 0.80
Methyl Alcohol SCHEMBL6663691 0.78 ALOX15 (0.52) ALOX15TSHRPTPN1CA12CA1

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
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN claimed
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed