SCHEMBL9856460

SCHEMBL9856460

CCNC[C@H]1O[C@@H](OCc2ccccc2)C[C@@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.39
RECQL P46063 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SLC6A2 P23975 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL9856549 0.89 MAN1B1 (0.44) PDE4DRECQLALDH1A1NPSR1KMT2A
SCHEMBL7703749 0.82 PDE4D (0.52) PDE4DSLC6A2
SCHEMBL6451124 0.82 PDE4D (0.52) PDE4DSLC6A2
SCHEMBL7703752 0.82 PDE4D (0.52) PDE4DSLC6A2
SCHEMBL7703756 0.82 PDE4D (0.52) PDE4DSLC6A2
SCHEMBL7703707 0.81 PDE4D (0.43) PDE4DRECQLALDH1A1SLC6A2KMT2A
SCHEMBL7703704 0.81 PDE4D (0.43) PDE4DRECQLALDH1A1SLC6A2KMT2A
SCHEMBL7703702 0.81 PDE4D (0.43) PDE4DRECQLALDH1A1SLC6A2KMT2A
SCHEMBL7703088 0.78 PDE4D (0.41) PDE4DRECQLALDH1A1SLC6A2NPSR1
SCHEMBL7703090 0.78 PDE4D (0.41) PDE4DRECQLALDH1A1SLC6A2NPSR1

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-4983726-A Antitumor agents SANOFI S.A. (FR) 1991-01-08 US disclosed
US-4902791-A ANTITUMOR AGENTS SANOFI S.A. (FR) 1990-02-20 US disclosed