SCHEMBL10013231

SCHEMBL10013231

C=C1CC(C)(O)CCC1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2683894 0.77 LMNA (0.37) ESR2ALDH1A1L3MBTL1
SCHEMBL6757986 0.63 ESR2 (0.38) ESR2
SCHEMBL6759411 0.63 ESR2 (0.38) ESR2
SCHEMBL3433997 0.63 ESR2 (0.38) ESR2
SCHEMBL4372165 0.61 ESR2 (0.31) ESR2
SCHEMBL30927137 0.60
SCHEMBL18105664 0.60 MAPT (0.39) ALDH1A1
SCHEMBL24618836 0.60 TRPA1 (0.32) ESR2
SCHEMBL1182537 0.60 CYP19A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL6757976 0.60 TRPA1 (0.32) ESR2

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-20120110900-A1 Liquid fuel composition and method for enhancing combustion efficiency of a liquid fuel TSAI KAI-SHON (TW) 2012-05-10 US disclosed