SCHEMBL8577182

SCHEMBL8577182

CCOC(=O)C1(OC(C)=O)CCCCC1OC.FC(F)(F)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
CNR2 P34972 1/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
POLB P06746 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL8577175 0.83 GPR35 (0.36) GPR35ALDH1A1KDM4EPSEN1PSEN2
SCHEMBL8575249 0.83 KDM4E (0.32) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL8580584 0.79 GPR35 (0.36) GPR35ALDH1A1KDM4EPSEN1PSEN2
SCHEMBL8576880 0.78 GPR35 (0.34) GPR35ALDH1A1KDM4EPSEN1PSEN2
SCHEMBL8578406 0.75 GPR35 (0.36) GPR35ALDH1A1KDM4EPSEN1PSEN2
SCHEMBL8578670 0.73 KMT2A (0.41) ALDH1A1KDM4ESLC6A4SMN1; SMN2MEN1
SCHEMBL8575776 0.73 GPR35 (0.35) GPR35ALDH1A1KDM4EPSEN1PSEN2
SCHEMBL8580772 0.72 GPR35 (0.34) GPR35ALDH1A1KDM4EPSEN1PSEN2
SCHEMBL8576908 0.71 KDM4E (0.42) ALDH1A1KDM4ESLC6A3SMN1; SMN2MEN1
SCHEMBL8575244 0.71 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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-5719310-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5610122-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed