SCHEMBL3751710

SCHEMBL3751710

CC(C)CCCC(C)(C)C(C)CC(C)[C@@H](C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.31

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
SCHEMBL19549059 0.85 MEN1 (0.32) MEN1CYP3A4ALOX15KMT2A
SCHEMBL19439579 0.72 ALDH1A1 (0.38)
SCHEMBL18721839 0.72 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL17607612 0.69 MEN1 (0.44) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL27926004 0.67 MEN1 (0.36) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL598576 0.66 MEN1 (0.45) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL19447748 0.66 LMNA (0.43) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL10486988 0.66
SCHEMBL13744536 0.65
SCHEMBL2935124 0.65 TSHR (0.47) CYP3A4LMNA

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
US-20100297297-A1 ENERGY BEVERAGES AND METHODS FOR FABRICATION THEREOF DIABETICA RESEARCH SOLUTIONS, INC. (US) 2010-11-25 US disclosed