SCHEMBL8944629

SCHEMBL8944629

C1=NO1.COC(=O)Cc1ccccc1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.44
RIPK1 Q13546 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
FAAH O00519 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
P2RX3 P56373 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
HRH1 P35367 1/20 0.42
GAA P10253 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
CXCL8 P10145 2/20 0.41
MAPK8 P45983 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL837233 0.91 RIPK1 (0.51) TSPORIPK1SLC6A2SLC6A4KDM4E
SCHEMBL9150938 0.84 KDM4E (0.48) RIPK1SLC6A2SLC6A4KDM4ECAMK2A
SCHEMBL7254516 0.82 SLC6A4 (0.56) SLC6A2SLC6A4ALDH1A1GAATDP1
SCHEMBL6935863 0.81 SLC6A4 (0.55) SLC6A2SLC6A4ALDH1A1CXCL8TDP1
SCHEMBL10093148 0.80 SLC6A4 (0.43) RIPK1SLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL2248000 0.80 HTR2A (0.60) SLC6A2SLC6A4ALDH1A1PTGDR2GAA
SCHEMBL27814144 0.80 KDM4E (0.44) TSPORIPK1SLC6A2SLC6A4KDM4E
SCHEMBL8002569 0.79 MTNR1B (0.54) KDM4EALDH1A1GAADGAT2TDP1
SCHEMBL9488096 0.78 PTGS1 (0.50) TSPOKDM4CCAMK2AHSD17B10ALDH1A1
SCHEMBL9155397 0.78 CAMK2A (0.49) RIPK1SLC6A2SLC6A4KDM4ECAMK2A

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-5488159-A AMIDATION, METHYLATION, FUNGICIDE SHIONOGI & CO., LTD. (JP) 1996-01-30 US disclosed