SCHEMBL11061843

SCHEMBL11061843

CC1CCCC(C)(OC(=O)c2ccccc2C(=O)OC2(C)CCCC(C)C2(C)C)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 8/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
TSHR P16473 1/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.32

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
SCHEMBL1685334 0.78 CYP3A4 (0.39) CYP2C9CYP2C19CYP3A4CYP2D6TDP1
SCHEMBL11124200 0.76 SCN1A (0.43) CYP2C9CYP2C19CYP3A4CYP2D6TDP1
SCHEMBL22471699 0.75 SCN1A (0.49) CYP2C9CYP2C19CYP3A4CYP2D6TDP1
SCHEMBL1685335 0.73 CYP3A4 (0.47) CYP2C9CYP2C19CYP3A4CYP2D6TDP1
SCHEMBL27568978 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3411398 0.71 SCN1A (0.54) CYP2C9CYP2C19CYP3A4CYP2D6TDP1
SCHEMBL31077823 0.71 SCN1A (0.54) CYP2C9CYP2C19CYP3A4CYP2D6TDP1
SCHEMBL28944642 0.70 ALDH1A1 (0.46) CYP2C9CYP2C19CYP3A4TDP1ALDH1A1
SCHEMBL304215 0.69 SCN1A (0.52) CYP2C9CYP2C19CYP3A4CYP2D6TDP1
SCHEMBL31192379 0.69 SCN1A (0.52) CYP2C9CYP2C19CYP3A4CYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037375-B1 INSECTICIDAL-VAPOURS EMITTING DEVICE Airwick AG (CH) 1984-05-23 EP disclosed
EP-0036385-B1 INSECTICIDAL VAPOUR-EMITTING COMPOSITIONS ON THE BASIS OF PYRETHRINOIDS Airwick AG (CH) 1984-05-02 EP disclosed
EP-0058633-A1 Composition containing an abrasive substrate for the cleaning of hard surfaces Airwick AG (CH) 1982-08-25 EP disclosed
EP-0037375-A1 Insecticidal-vapours emitting device Airwick AG (CH) 1981-10-07 EP disclosed
EP-0036385-A2 Insecticidal vapour-emitting compositions on the basis of pyrethrinoids Airwick AG (CH) 1981-09-23 EP disclosed