SCHEMBL285609

SCHEMBL285609

C=C(C)C(=O)OC(CC(C)Sc1ccccc1)CC(C)Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
ELANE P08246 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 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
SCHEMBL2392777 0.80 ELANE (0.41) MTNR1AMTNR1BELANEKDM4EALDH1A1
SCHEMBL914115 0.78 MTNR1A (0.49) MTNR1AMTNR1BELANEALDH1A1TSHR
SCHEMBL8038661 0.75 PPARG (0.39) ELANEKDM4EALDH1A1GAAL3MBTL1
SCHEMBL6271230 0.75 ELANE (0.37) MTNR1AMTNR1BELANEKDM4EALDH1A1
SCHEMBL15864415 0.75 ALPI (0.40) ELANEALDH1A1PKMTSHR
SCHEMBL10907558 0.75 HCAR2 (0.53) ELANEALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL41864 0.75 HCAR2 (0.53) ELANEALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL720462 0.73 ELANE (0.35) MTNR1AMTNR1BELANEALDH1A1MAPT
Ethylene Glycol SCHEMBL6490841 0.73 HCAR2 (0.47) ELANEALDH1A1
SCHEMBL4596085 0.72 ALDH1A1 (0.40) MTNR1AMTNR1BELANEALDH1A1LMNA

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-2427509-A1 POLYMER COMPOSITION Contamac Limited (GB) 2012-03-14 EP disclosed
WO-2010128266-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2010-11-11 WO disclosed