SCHEMBL7365096

SCHEMBL7365096

COCCOCCOCCOCCNCCCCCNCCCCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.42
EPHX2 P34913 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 5/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL29626483 0.93 MEN1 (0.42) EPHX2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20223702 0.87 TSHR (0.45) PAOXEPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL14725908 0.87 ALDH1A1 (0.56) PAOXEPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL26981157 0.85 ALDH1A1 (0.53) EPHX2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16526271 0.85 HDAC6 (0.40) PAOXMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3316187 0.82 TSHR (0.42) PAOXMEN1KMT2AALDH1A1KDM4E
SCHEMBL21664615 0.82 ALDH1A1 (0.52) EPHX2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL21341652 0.82 ALDH1A1 (0.52) EPHX2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13566485 0.80 TSHR (0.45) PAOXEPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL22266509 0.80 ALDH1A1 (0.48) EPHX2MEN1KMT2AALDH1A1KDM4E

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
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 EP disclosed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 WO disclosed