SCHEMBL8036026

SCHEMBL8036026

C=C(C)C(=O)OCCC.CC(C)=CCOC(=O)COc1ccc(COc2ccc(C=CC=Cc3cccc(O)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC5A1 P13866 2/20 0.37
SLC5A2 P31639 2/20 0.37
NR1H4 Q96RI1 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
MAOB P27338 4/20 0.35
LCK P06239 1/20 0.35
NDUFS8 O00217 1/20 0.35
COXFA4 O00483 1/20 0.35
NDUFAB1 O14561 1/20 0.35
NDUFA1 O15239 1/20 0.35
NDUFS4 O43181 1/20 0.35
NDUFB5 O43674 1/20 0.35

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
SCHEMBL8035838 0.86 MAOB (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8053110 0.83 ABCG2 (0.44) MAOBMEN1NR1I2LMNAPGR
SCHEMBL8046803 0.83 PPARG (0.40) PPARGPPARAFFAR1PPARDNDUFS8
SCHEMBL8045679 0.81 POLB (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8048204 0.81 NPSR1 (0.41) SLC5A1SLC5A2MAOBMEN1NR1I2
SCHEMBL8046927 0.78 PTGS2 (0.43) MAOBMEN1NR1I2LMNAPGR
Acrylic Acid Methyl Ester SCHEMBL8050149 0.70 PTGS2 (0.43) SLC5A1SLC5A2MAOBMEN1NR1I2
SCHEMBL2707793 0.70 LMNA (0.48) NR1H4MAOBMAOAMEN1LMNA
SCHEMBL8035771 0.69 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8045438 0.68 ABCG2 (0.43) SLC5A1SLC5A2MAOBLMNAABCG2

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
US-6010826-A Resist composition NIPPON ZEON CO., LTD. (JP) 2000-01-04 US disclosed
EP-0786701-A1 RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1997-07-30 EP disclosed