SCHEMBL9725425

SCHEMBL9725425

CCOC(=O)Nc1cc(OC)ccc1N(CCN(C)C)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MTNR1B P49286 2/20 0.44
MTNR1A P48039 1/20 0.44
HSD17B10 Q99714 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNQ2 O43526 1/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 3/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL9827552 0.91 ALDH1A1 (0.47) ALDH1A1MTNR1BMTNR1AHSD17B10KMT2A
SCHEMBL9725485 0.88 CYP1A2 (0.56) ALDH1A1HSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL9725365 0.85 CYP1A2 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL9725378 0.84 DPP4 (0.42) ALDH1A1HSD17B10SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9725414 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL9725391 0.81 CYP1A2 (0.56) ALDH1A1HSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL9725489 0.78 CYP1A2 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL9725398 0.78 CYP1A2 (0.46) ALDH1A1HSD17B10KMT2AMEN1ALOX15
SCHEMBL9725494 0.78 CYP1A2 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL7254155 0.73 ALDH1A1 (0.54) ALDH1A1MTNR1BMTNR1AHSD17B10KMT2A

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