SCHEMBL8575776

SCHEMBL8575776

CCOC(=O)C1(OC(C)=O)CCC(OC(C)(C)C)CC1.FC(F)(F)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR2 P34972 2/20 0.33
SLC13A3 Q8WWT9 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.31
DDR1 Q08345 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8578406 0.90 GPR35 (0.36) GPR35FFAR4MEN1KMT2AALDH1A1
SCHEMBL8580584 0.90 GPR35 (0.36) GPR35FFAR4MEN1KMT2AALDH1A1
SCHEMBL8580772 0.87 GPR35 (0.34) GPR35FFAR4MEN1KMT2AALDH1A1
SCHEMBL8578652 0.84 CNR2 (0.32) CNR2
SCHEMBL8575771 0.82 MEN1 (0.36) GPR35MEN1KMT2AALDH1A1KDM4E
SCHEMBL8576880 0.81 GPR35 (0.34) GPR35FFAR4MEN1KMT2AALDH1A1
SCHEMBL8579607 0.73 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4E
SCHEMBL8577182 0.73 GPR35 (0.36) GPR35FFAR4MEN1KMT2AALDH1A1
SCHEMBL8578405 0.72 MEN1 (0.37) GPR35MEN1KMT2AALDH1A1KDM4E
SCHEMBL8580578 0.72 MEN1 (0.37) GPR35MEN1KMT2AALDH1A1KDM4E

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