SCHEMBL9725383

SCHEMBL9725383

CCOC(=O)Nc1cc(OC)c(OC)cc1N(OCC)C(=C=O)CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDR P35968 7/20 0.37
EGFR P00533 5/20 0.37
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9725378 0.72 DPP4 (0.42) DPP4SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7503515 0.67 ALDH1A1 (0.52) DPP4SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL10767251 0.66 ALDH1A1 (0.57) DPP4SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL10489881 0.66 KDM4E (0.65) DPP4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7413878 0.66 ALDH1A1 (0.60) DPP4SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9116458 0.64 RECQL (0.53) DPP4SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL10817064 0.63 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDR
SCHEMBL10192134 0.63 CYP1A2 (0.71) SMN1; SMN2CYP1A2CYP2C9CYP2C19RECQL
SCHEMBL28912292 0.62 KDM4E (0.61) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDR
SCHEMBL7251017 0.62 RECQL (0.51) DPP4SMN1; SMN2CYP1A2CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed