SCHEMBL7126607

SCHEMBL7126607

CC(=O)OC1C=C(C)CCC1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
ACE2 Q9BYF1 2/20 0.36
OPRM1 P35372 1/20 0.36
TAS2R46 P59540 4/20 0.34
HSD11B1 P28845 2/20 0.33
EPAS1 Q99814 2/20 0.32
CNR1 P21554 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MEN1 O00255 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TERT O14746 1/20 0.30
PKM P14618 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
SCHEMBL1172762 1.00 PTPN1 (0.38) PTPN1ACE2OPRM1TAS2R46HSD11B1
SCHEMBL14026271 0.83 PTPN1 (0.36) PTPN1ACE2
Methyl Piperitol SCHEMBL3032662 0.82 OPRM1 (0.37) PTPN1ACE2OPRM1
SCHEMBL30665029 0.75 OPRM1 (0.40) PTPN1ACE2OPRM1EPAS1
SCHEMBL16633957 0.75 OPRM1 (0.40) PTPN1ACE2OPRM1EPAS1
SCHEMBL16633956 0.75 OPRM1 (0.40) PTPN1ACE2OPRM1EPAS1
SCHEMBL16633959 0.75 OPRM1 (0.40) PTPN1ACE2OPRM1EPAS1
SCHEMBL24565117 0.73 MEN1 (0.47) OPRM1CNR1TRPM8MEN1KMT2A
SCHEMBL12414394 0.72 ACE (0.32) ACE2OPRM1
SCHEMBL7777433 0.72 ACE2 (0.39) PTPN1ACE2OPRM1EPAS1CNR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110225964-A Composition with muguet odour 弗门尼舍有限公司 2019-09-10 CN disclosed
CN-110191877-A Cleavable surfactants 弗门尼舍有限公司 2019-08-30 CN disclosed
CN-110177861-A Composition with muguet odour 弗门尼舍有限公司 2019-08-27 CN disclosed
CN-110099658-A Lily of the valley odorant 弗门尼舍有限公司 2019-08-06 CN disclosed
CN-108025194-A Fragrant component of Qingxiang and Suzuan blue 弗门尼舍有限公司 2018-05-11 CN disclosed
CN-108026477-A Vetiver odorant agent 弗门尼舍有限公司 2018-05-11 CN disclosed
CN-107849488-A Compound with lily of the valley smell 弗门尼舍有限公司 2018-03-27 CN disclosed
CN-107532111-A Sweet osmanthus odorant agent 弗门尼舍有限公司 2018-01-02 CN disclosed
CN-107250339-A For perfuming component controlled release as derived from poly- (aspartic acid) copolymer 弗门尼舍有限公司 2017-10-13 CN disclosed
JP-2003026527-A BACTERIAL METABOLISM INHIBITOR AND COMPOSITION FOR SUPPRESSING OCCURRENCE OF ODOR KYOTO SHOKUHIN KENKYUSHO:KK 2003-01-29 JP disclosed