SCHEMBL9856549

SCHEMBL9856549

O[C@H]1[C@H](O)C[C@H](OCc2ccccc2)O[C@@H]1CNCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAN1B1 Q9UKM7 1/20 0.44
PDE4D Q08499 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CXCR4 P61073 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
NEU2 Q9Y3R4 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
SCHEMBL9856460 0.89 PDE4D (0.39) PDE4DALDH1A1RECQLNPSR1KMT2A
SCHEMBL9856593 0.86 MAN1B1 (0.45) MAN1B1HTR2CHTR2ACXCR4KMT2A
SCHEMBL7703756 0.83 PDE4D (0.52) PDE4D
SCHEMBL7703749 0.83 PDE4D (0.52) PDE4D
SCHEMBL7703752 0.83 PDE4D (0.52) PDE4D
SCHEMBL6451124 0.83 PDE4D (0.52) PDE4D
SCHEMBL7703704 0.82 PDE4D (0.43) PDE4DALDH1A1RECQLKDM4EKMT2A
SCHEMBL7703707 0.82 PDE4D (0.43) PDE4DALDH1A1RECQLKDM4EKMT2A
SCHEMBL7703702 0.82 PDE4D (0.43) PDE4DALDH1A1RECQLKDM4EKMT2A
SCHEMBL7703090 0.76 PDE4D (0.41) PDE4DALDH1A1RECQLKDM4ENPSR1

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