SCHEMBL2582130

SCHEMBL2582130

C=CCOC(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.54
CYP3A4 P08684 1/20 0.50
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
PTPN1 P18031 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2834698 0.95 SNCA (0.58) SNCACYP3A4PTPN1KMT2AMEN1
SCHEMBL461801 0.91 SNCA (0.61) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL5675836 0.86 SNCA (0.59) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL175786 0.86 SNCA (0.67) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL1679462 0.85 LMNA (0.58) SNCACYP3A4KMT2AMEN1MAPT
SCHEMBL2346908 0.85 CYP3A4 (0.61) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL9717267 0.85 SNCA (0.55) SNCACYP3A4BCL2L1BADKMT2A
SCHEMBL9063776 0.83 SNCA (0.54) SNCACYP3A4KMT2AMEN1MAPT
SCHEMBL9066444 0.82 SNCA (0.52) SNCACYP3A4KMT2AMEN1ALDH1A1
SCHEMBL9288915 0.82 ADRB2 (0.55) SNCACYP3A4KMT2AMEN1MAPT

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-8765310-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same HITACHI, LTD. (JP) 2014-07-01 US disclosed
US-20110269026-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME HITACHI, LTD. (JP) 2011-11-03 US disclosed