SCHEMBL9725378

SCHEMBL9725378

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDR P35968 7/20 0.38
EGFR P00533 5/20 0.37

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
SCHEMBL9725425 0.84 ALDH1A1 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9827552 0.84 ALDH1A1 (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9725485 0.83 CYP1A2 (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19RECQL
SCHEMBL9725391 0.83 CYP1A2 (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19RECQL
SCHEMBL9725365 0.80 CYP1A2 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9725398 0.80 CYP1A2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9725489 0.80 CYP1A2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9725494 0.80 CYP1A2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9725414 0.79 ALDH1A1 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9725383 0.72 DPP4 (0.39) 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 2 patents. 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
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed