SCHEMBL7952952

SCHEMBL7952952

[CH2]CCCOC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.68
SCN2A Q99250 2/20 0.68
SCN3A Q9NY46 2/20 0.68
SLC29A1 Q99808 7/20 0.66
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
THPO P40225 2/20 0.63
MTOR P42345 2/20 0.63
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 2/20 0.61
PMP22 Q01453 2/20 0.61
ABCC4 O15439 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
CHRM3 P20309 1/20 0.61
HTR2A P28223 1/20 0.61
MAPK1 P28482 1/20 0.61
SLC6A4 P31645 1/20 0.61

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
SCHEMBL7956555 0.95 SLC29A1 (0.67) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL7952909 0.94 CYP3A4 (0.67) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL7956551 0.90 SLC29A1 (0.64) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL8055892 0.86 SCN1A (0.69) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL11219537 0.86 SCN1A (0.69) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL7632357 0.85 SCN1A (0.50) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL27519173 0.84 CYP3A4 (0.71) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL25979701 0.84 SCN1A (0.68) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL18675943 0.84 SLC29A1 (0.68) SCN1ASCN2ASCN3ASLC29A1CYP3A4
SCHEMBL11477568 0.84 SCN1A (0.68) SCN1ASCN2ASCN3ASLC29A1CYP3A4

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-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed