SCHEMBL17029396

SCHEMBL17029396

C/C=C\CC1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
PTGS1 P23219 2/20 0.55
PDE4A P27815 2/20 0.55
SNCA P37840 2/20 0.55
PDE3A Q14432 2/20 0.55
PGR P06401 1/20 0.55
HTR1A P08908 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
MAPK1 P28482 1/20 0.55
DRD3 P35462 1/20 0.55
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
APAF1 O14727 1/20 0.49
MITF O75030 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TBXAS1 P24557 1/20 0.45

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
SCHEMBL12921592 1.00 MAPT (0.55) MAPTPTGS1PDE4ASNCAPDE3A
SCHEMBL571773 0.90 MAPT (0.53) MAPTPTGS1PDE4ASNCAPDE3A
SCHEMBL7915508 0.81 MAPT (0.49) MAPTPTGS1PDE4ASNCAPDE3A
SCHEMBL7915504 0.81 MAPT (0.49) MAPTPTGS1PDE4ASNCAPDE3A
SCHEMBL10957398 0.81 IDO1 (0.50) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL6052720 0.81 MAPT (0.51) MAPTPTGS1PDE4ASNCAPDE3A
SCHEMBL10957395 0.81 IDO1 (0.50) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL5820368 0.81 MAPT (0.58) MAPTPTGS1PDE4ASNCAPDE3A
SCHEMBL14894567 0.80 MAPT (0.52) MAPTPTGS1PDE4ASNCAPDE3A
SCHEMBL8708046 0.77 MAPT (0.74) MAPTPTGS1PDE4ASNCAPDE3A

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
US-9118086-B2 Electrolyte for lithium secondary battery and lithium secondary battery including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-08-25 US disclosed