SCHEMBL8032380

SCHEMBL8032380

C=C(C)C(=O)OC(=C(C#N)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 1/20 0.38
NPY1R P25929 1/20 0.38
HTT P42858 1/20 0.38
NPY2R P49146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP19A1 P11511 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL8032377 1.00 ELANE (0.43) ELANECES2CES1NPSR1GLA
SCHEMBL8038793 0.82 ALDH1A1 (0.37) ELANECES2CES1NPSR1MAPT
SCHEMBL8038790 0.82 ALDH1A1 (0.37) ELANECES2CES1NPSR1MAPT
SCHEMBL7067350 0.75 CYP19A1 (0.41) ELANECES2CES1MAPTALOX12
SCHEMBL7067348 0.75 CYP19A1 (0.41) ELANECES2CES1MAPTALOX12
SCHEMBL8022876 0.70 CES2 (0.48) CES2CES1NPSR1GLAMAPT
SCHEMBL31467210 0.70 HPGD (0.41) CES2CES1NPSR1GLAMAPT
SCHEMBL8022899 0.69 TSHR (0.41) CES2CES1LMNAPOLBL3MBTL1
SCHEMBL777588 0.68 ELANE (0.54) ELANECES2CES1NPSR1MAPT
SCHEMBL3385461 0.68 ELANE (0.54) ELANECES2CES1NPSR1MAPT

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
EP-0983997-A1 RESINS FOR ANTIFOULING AGENTS AGAINST PERIPHYTONS, PROCESS FOR THE PREPARATION OF THE RESINS, AND ANTIFOULING AGENTS AGAINST PERIPHYTONS CONTAINING THE SAME IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-03-08 EP disclosed