SCHEMBL11117437

SCHEMBL11117437

OOC1CCCCC1(OO)OOC1CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9559112 0.82 CYP2C19 (0.31) CYP2C19
SCHEMBL6551538 0.76 CYP2C19 (0.35) CYP2C19
SCHEMBL10343119 0.76 CYP2C19 (0.35) CYP2C19
SCHEMBL11292975 0.74 SLC6A4 (0.30)
SCHEMBL11043883 0.73 CYP2C19 (0.34) CYP2C19
SCHEMBL11294330 0.72 SLC6A4 (0.31)
SCHEMBL7755934 0.69 CYP2C19 (0.40) CYP2C19
SCHEMBL11290380 0.66
SCHEMBL14143508 0.65 CYP2C19 (0.31) CYP2C19
SCHEMBL7613312 0.64 LMNA (0.32) CYP2C19

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
EP-0046189-B1 ISOXAZOLINO-AZOXY COMPOUNDS AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1984-01-04 EP disclosed
EP-0046189-A1 Isoxazolino-azoxy compounds and process for their preparation BASF Aktiengesellschaft (DE) 1982-02-24 EP disclosed