SCHEMBL8580772

SCHEMBL8580772

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CETP P11597 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
IDH1 O75874 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
OPRK1 P41145 1/20 0.31
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
ATF1 P18846 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 0.89 GPR35 (0.36) GPR35FFAR4ALDH1A1MEN1KMT2A
SCHEMBL8580584 0.89 GPR35 (0.36) GPR35FFAR4CETPALDH1A1MEN1
SCHEMBL8575776 0.87 GPR35 (0.35) GPR35FFAR4ALDH1A1MEN1KMT2A
SCHEMBL8576677 0.83 ACACB (0.35)
SCHEMBL8580766 0.83 KMT2A (0.35) GPR35CETPALDH1A1MEN1KMT2A
SCHEMBL8576880 0.80 GPR35 (0.34) GPR35FFAR4CETPALDH1A1MEN1
SCHEMBL8577182 0.72 GPR35 (0.36) GPR35FFAR4ALDH1A1MEN1KMT2A
SCHEMBL8580842 0.72 ADCY8 (0.39) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL8578405 0.71 MEN1 (0.37) GPR35CETPALDH1A1MEN1KMT2A
SCHEMBL8580578 0.71 MEN1 (0.37) GPR35CETPALDH1A1MEN1KMT2A

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