SCHEMBL28299622

SCHEMBL28299622

C1=C(C23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.39
THRB P10828 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.36
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL7124697 0.75 EPHX2 (0.41) LMNAALDH1A1POLBTHRBMEN1
SCHEMBL2763437 0.69 LMNA (0.77) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL28141032 0.65 LMNA (0.41) LMNAALDH1A1POLBTHRBMEN1
SCHEMBL19747326 0.65 LMNA (0.41) LMNAALDH1A1POLBTHRBMEN1
SCHEMBL6745115 0.64 ALDH1A1 (0.36) LMNAALDH1A1POLBTHRBMEN1
SCHEMBL181479 0.63 GRIN2D (0.62) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL10346681 0.63 TSHR (0.47) LMNAALDH1A1POLBTHRBMEN1
SCHEMBL20603895 0.63 LMNA (0.40) LMNAALDH1A1POLBTHRBMEN1
SCHEMBL14548193 0.63 ALDH1A1 (0.40) LMNAALDH1A1POLBTHRBMEN1
SCHEMBL548653 0.62 MEN1 (0.59) LMNAALDH1A1POLBMEN1KMT2A

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
CN-109748782-A Preparation method of aldehyde ketone 南京工业大学 2019-05-14 CN disclosed