SCHEMBL28428486

SCHEMBL28428486

CCC1CCC(C)(C2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
SIGMAR1 Q99720 6/20 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
SCHEMBL31485053 0.81 LIPA (0.42) LIPASIGMAR1
SCHEMBL14478491 0.79 LIPA (0.35) LIPAKDM4EALDH1A1GAAHPGD
SCHEMBL6723241 0.77 LIPA (0.40) LIPAGAASIGMAR1
SCHEMBL1297508 0.76 LIPA (0.39) LIPAKDM4EGAACYP1A2SIGMAR1
SCHEMBL11324326 0.76 LIPA (0.39) LIPAKDM4EGAACYP1A2SIGMAR1
SCHEMBL23885014 0.76 LIPA (0.39) LIPAKDM4EGAACYP1A2SIGMAR1
SCHEMBL6941115 0.76 LIPA (0.39) LIPAKDM4EGAACYP1A2SIGMAR1
SCHEMBL10452360 0.76 LIPA (0.39) LIPAKDM4EGAACYP1A2SIGMAR1
SCHEMBL2049106 0.76 LIPA (0.39) LIPAKDM4EGAACYP1A2SIGMAR1
SCHEMBL6814313 0.76 LIPA (0.39) LIPAKDM4EGAACYP1A2SIGMAR1

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
CN-107661761-B Nanocarbon material forming body, preparation method and application thereof, forming method of nanocarbon material and hydrocarbon dehydrogenation reaction method 中国石油化工股份有限公司 2020-07-28 CN disclosed