SCHEMBL9515569

SCHEMBL9515569

CCOC(=O)CCCCc1cccc(/C=C/c2nc3ccccc3s2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL9516834 0.84 CYSLTR2 (0.67) CYSLTR2CYSLTR1MAPTALDH1A1KDM4E
SCHEMBL9516841 0.84 CYSLTR2 (0.67) CYSLTR2CYSLTR1MAPTALDH1A1KDM4E
SCHEMBL9514857 0.83 TOP2A (0.49) L3MBTL1CYSLTR2CYSLTR1MAPTALDH1A1
SCHEMBL9518052 0.83 TOP2A (0.49) L3MBTL1CYSLTR2CYSLTR1MAPTALDH1A1
SCHEMBL9514851 0.79 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL9514862 0.79 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1KDM4EHTT
SCHEMBL9515993 0.79 CYSLTR2 (0.53) CYSLTR2CYSLTR1MAPTALDH1A1KDM4E
SCHEMBL9515980 0.79 CYSLTR2 (0.53) CYSLTR2CYSLTR1MAPTALDH1A1KDM4E
SCHEMBL6642195 0.75 L3MBTL1 (0.69) L3MBTL1MAPTALDH1A1KDM4EKMT2A
SCHEMBL9514885 0.75 CYP4F2 (0.51)

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
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