SCHEMBL6405262

SCHEMBL6405262

COCOc1c(C(=O)O)cccc1C1CCCC(=O)C(OCOC)C(OCOC)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KDM4E B2RXH2 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
CREBBP Q92793 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL28806264 0.68 PTGDR2 (0.44) KDM4ETDP1ALOX5APFEN1
SCHEMBL4591641 0.66 APEX1 (0.43) KDM4ETDP1HTT
SCHEMBL29263206 0.63 PTPN1 (0.59) KDM4ETDP1HTT
SCHEMBL16416495 0.63 PTPN1 (0.51) KDM4ETDP1HTT
SCHEMBL6401503 0.63 MEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1549382 0.62 MMP2 (0.47) KDM4EHTT
SCHEMBL8481540 0.62 PTPN1 (0.50) KDM4ETDP1HTT
SCHEMBL29003855 0.61 HTR2C (0.51)
SCHEMBL6399336 0.61 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18760552 0.61 CLCN2 (0.39) KDM4ETDP1HTT

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-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed