SCHEMBL8577175

SCHEMBL8577175

CCOC(=O)C1(OC(=O)Cc2c(Cl)cc(C(F)(F)F)cc2Cl)CCCCC1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CETP P11597 1/20 0.33
HPGD P15428 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
P2RX7 Q99572 1/20 0.32
GABRP O00591 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
SCHEMBL8576908 0.85 KDM4E (0.42) L3MBTL1ALDH1A1MEN1KMT2ASLC6A3
SCHEMBL8577182 0.83 GPR35 (0.36) GPR35ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL8577357 0.81 KMT2A (0.48) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8575244 0.81 ALDH1A1 (0.36) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8580578 0.80 MEN1 (0.37) GPR35L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8576874 0.80 MEN1 (0.35) GPR35L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8575957 0.79 GPR35 (0.36) GPR35L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8575948 0.79 SMN1; SMN2 (0.34) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8578670 0.78 KMT2A (0.41) L3MBTL1ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL8578405 0.77 MEN1 (0.37) GPR35L3MBTL1ALDH1A1MEN1KMT2A

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