SCHEMBL9201503

SCHEMBL9201503

CC1=C(/C=C/C(C)O)C(C)(C)CCC1=O.CCOC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.33
RXRA P19793 1/20 0.32
HIF1A Q16665 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL9201516 0.91 MAPT (0.43) MAPTALOX15TRPA1RXRACYP1A2
SCHEMBL9199028 0.88 MAPT (0.54) MAPTALOX15TRPA1RXRAHIF1A
SCHEMBL9199030 0.88 MAPT (0.54) MAPTALOX15TRPA1RXRAHIF1A
SCHEMBL9201507 0.86 MAPT (0.43) MAPTALOX15TRPA1RXRA
SCHEMBL8631467 0.77 MAPT (0.46) MAPTALOX15TRPA1CYP1A2
SCHEMBL13594137 0.76 MAPT (0.52) MAPTALOX15TRPA1CYP1A2
SCHEMBL10413440 0.75 MAPT (0.50) MAPTALOX15TRPA1ALDH1A1CYP1A2
SCHEMBL10413442 0.75 MAPT (0.50) MAPTALOX15TRPA1ALDH1A1CYP1A2
SCHEMBL8631472 0.74 MAPT (0.43) MAPTALOX15TRPA1CYP1A2
SCHEMBL10413561 0.74 MAPT (0.43) MAPTALOX15TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509983-B1 OXO-IONOL CARBONATES USEFUL AS TOBACCO FLAVORANTS GIVAUDAN ROURE INT (CH) 1995-11-29 EP disclosed
US-4992106-A Haylike flavor to smoke; cigarettes BASF CORPORATION (US) 1991-02-12 US disclosed
US-4827012-A STABLE TOBACCO FLAVORANTS BASF CORPORATION (US) 1989-05-02 US disclosed