SCHEMBL13328489

SCHEMBL13328489

CC(=O)C1CCC2CCCCC21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
HSD11B2 P80365 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 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
SCHEMBL23109104 1.00 HSD11B1 (0.35) HSD11B1HSD11B2ALDH1A1MEN1CYP2D6
SCHEMBL7247031 0.91 EPHX1 (0.35) HSD11B1HSD11B2ALDH1A1MEN1CYP2D6
SCHEMBL4610992 0.91 EPHX1 (0.35) HSD11B1HSD11B2ALDH1A1MEN1CYP2D6
SCHEMBL29107877 0.91 EPHX1 (0.35) HSD11B1HSD11B2ALDH1A1MEN1CYP2D6
SCHEMBL29107738 0.91 EPHX1 (0.35) HSD11B1HSD11B2ALDH1A1MEN1CYP2D6
SCHEMBL339518 0.91 EPHX1 (0.35) HSD11B1HSD11B2ALDH1A1MEN1CYP2D6
SCHEMBL13433450 0.91 EPHX1 (0.35) HSD11B1HSD11B2ALDH1A1MEN1CYP2D6
SCHEMBL13433447 0.91 EPHX1 (0.35) HSD11B1HSD11B2ALDH1A1MEN1CYP2D6
SCHEMBL20614627 0.91 HSD11B1 (0.35) HSD11B1HSD11B2ALDH1A1EPHX1
SCHEMBL16328194 0.84 ITK (0.33) HSD11B1HSD11B2ALDH1A1EPHX1

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-20100160268-A1 Isoflavonoid Analogs and their Metal Conjugates as Anti-Cancer Agents FAZLUL SARKAR 2010-06-24 US disclosed