SCHEMBL9539707

SCHEMBL9539707

CC(C)CCCC(C)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
REN P00797 1/20 0.36
FNTA P49354 1/20 0.36
PGGT1B P53609 1/20 0.36
CYP1A2 P05177 1/20 0.35
BLM P54132 1/20 0.35
PTPN1 P18031 1/20 0.35
CPB2 Q96IY4 2/20 0.34
CTSD P07339 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
OPRK1 P41145 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
SCHEMBL28022570 1.00 LMNA (0.46) LMNARENFNTAPGGT1BCYP1A2
SCHEMBL2059106 0.87 CTSD (0.37) RENCYP1A2CPB2CTSDCTSL
SCHEMBL4655208 0.86 CYP1A2 (0.39) RENCYP1A2CPB2CTSLCTSB
SCHEMBL30829123 0.86 LMNA (0.47) LMNARENFNTAPGGT1BBLM
SCHEMBL4652979 0.85 CTSD (0.35) RENCYP1A2CPB2CTSDCTSL
SCHEMBL30829124 0.83 LMNA (0.48) LMNARENFNTAPGGT1BBLM
SCHEMBL6933779 0.83 CYP1A2 (0.50) CYP1A2OPRK1
SCHEMBL4655235 0.83 CYP1A2 (0.35) LMNARENCYP1A2CPB2CTSL
SCHEMBL24191881 0.82 PTPN1 (0.41) LMNARENFNTAPGGT1BBLM
SCHEMBL20272927 0.82 CTSK (0.35) RENCYP1A2CPB2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993000415-A1 HYDROCARBON-BASED FUELS FORM BIOMASS CANTRELL RESEARCH, INCORPORATED (US) 1993-01-07 WO claimed
CN-104918909-A Using mixtures of E/Z isomers to obtain quantitatively specific products by combined asymmetric hydrogenations DSM IP ASSETS BV 2015-09-16 CN disclosed
CN-104884446-A Asymmetric Hydrogenation of Ketals and Acetals DSM IP ASSETS BV 2015-09-02 CN disclosed