SCHEMBL3387696

SCHEMBL3387696

CCOC(=O)COCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
RECQL P46063 1/20 0.36
MAOB P27338 1/20 0.35
PTGIR P43119 3/20 0.35
TRPA1 O75762 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGDR Q13258 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL13496227 0.90 KMT2A (0.37) TSHRPOLBLMNAALDH1A1KMT2A
SCHEMBL3254360 0.88 KMT2A (0.44) TSHRPOLBALDH1A1KMT2AMGAM
SCHEMBL3248118 0.84 KMT2A (0.49) LMNAALDH1A1KMT2AL3MBTL1MGAM
SCHEMBL3264372 0.83 KMT2A (0.47) LMNAALDH1A1KMT2AL3MBTL1MGAM
SCHEMBL13496223 0.81 KMT2A (0.38) TSHRPOLBLMNAALDH1A1KMT2A
SCHEMBL27055143 0.80 RAB9A (0.46) TSHRPOLBLMNAALDH1A1RAB9A
SCHEMBL6517420 0.80 PLG (0.39) LMNAALDH1A1KMT2AMGAMGAA
SCHEMBL6517416 0.80 PLG (0.39) LMNAALDH1A1KMT2AMGAMGAA
SCHEMBL7009023 0.80 KMT2A (0.39) ALDH1A1KMT2AMGAMGAASI
SCHEMBL534088 0.79 TSHR (0.45) TSHRPOLBLMNAALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018132-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010018132-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed