SCHEMBL4339845

SCHEMBL4339845

C=C1CC(CCCCCCCC)OC1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
PPARG P37231 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GRM2 Q14416 5/20 0.44
SIRT2 Q8IXJ6 4/20 0.44
POLB P06746 1/20 0.44
FASN P49327 1/20 0.44
EPHX1 P07099 1/20 0.43
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL8398786 1.00 CYP1A2 (0.51) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL8394045 1.00 CYP1A2 (0.51) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL18979113 1.00 CYP1A2 (0.51) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL18981127 1.00 CYP1A2 (0.51) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL7153568 0.98 CYP1A2 (0.49) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL8394086 0.93 CYP1A2 (0.42) CYP1A2PPARGGRM2SIRT2POLB
SCHEMBL8396285 0.85 KAT2A (0.39) CYP1A2SIRT2POLBFASNPTPN1
SCHEMBL19729125 0.83 CYP1A2 (0.33) CYP1A2PPARGGRM2SIRT2POLB
SCHEMBL7024404 0.81 CYP1A2 (0.67) CYP1A2PPARGALDH1A1GRM2SIRT2
SCHEMBL20803560 0.81 CYP1A2 (0.67) CYP1A2PPARGALDH1A1GRM2SIRT2

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-20090053804-A1 METHODS OF REDUCING INTRACELLULAR FATS FROM MAMMALIAN CELLS VESTA THERAPEUTICS, INC. 2009-02-26 US disclosed