SCHEMBL9959956

SCHEMBL9959956

[CH2]C1CCC(C(C)(C)CC)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
GAA P10253 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
SCHEMBL2151480 0.87
SCHEMBL25910486 0.79 KDM4E (0.37) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL9782925 0.78
SCHEMBL9959957 0.77 KDM4E (0.36) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL8759751 0.76 KDM4E (0.38) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL27756281 0.76
SCHEMBL24918924 0.75 KDM4E (0.35) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL1162181 0.75 SHBG (0.39) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL22247136 0.75 KDM4E (0.35) KDM4EOPRM1OPRK1OPRL1GAA
SCHEMBL12852025 0.75 KDM4E (0.35) KDM4EALDH1A1MAPTSMN1; SMN2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117500783-A Perfume compounds 奇华顿股份有限公司 2024-02-02 CN claimed
CN-117500783-A Perfume compounds 奇华顿股份有限公司 2024-02-02 CN disclosed
CN-103261139-B The compound of perfume compound can be discharged GIVAUDAN S.A. (CH) 2015-09-23 CN disclosed
EP-2655307-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS Givaudan SA (CH) 2013-10-30 EP disclosed
CN-103261139-A Compounds capable of releasing fragrant compounds GIVAUDAN SA 2013-08-21 CN disclosed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 WO disclosed