SCHEMBL9516834

SCHEMBL9516834

CCOC(=O)CCCOc1cccc(/C=C/c2nc3ccccc3s2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.67
CYSLTR1 Q9Y271 4/20 0.67
ATP4A P20648 14/20 0.52
ATP4B P51164 14/20 0.52
FAAH O00519 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9516841 1.00 CYSLTR2 (0.67) CYSLTR2CYSLTR1ATP4AATP4BFAAH
SCHEMBL9515993 0.89 CYSLTR2 (0.53) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9515980 0.89 CYSLTR2 (0.53) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9518053 0.85 CYSLTR2 (0.57) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9518047 0.85 CYSLTR2 (0.57) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9515569 0.84 L3MBTL1 (0.48) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9518052 0.83 TOP2A (0.49) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9514857 0.83 TOP2A (0.49) CYSLTR2CYSLTR1ATP4AATP4BKDM4E
SCHEMBL9515591 0.82 ATP4A (0.55) ATP4AATP4B
SCHEMBL9515581 0.82 ATP4A (0.55) ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed