SCHEMBL5708608

SCHEMBL5708608

[CH2]C(C)(C)C1CC=C(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
STAT3 P40763 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
CHRNA7 P36544 1/20 0.47
CES2 O00748 3/20 0.42
PTPN1 P18031 1/20 0.41
CNR2 P34972 1/20 0.32
PPARA Q07869 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
Alpha-Terpineol SCHEMBL901351 0.83 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL980991 0.83 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL10925321 0.83 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL28466 0.83 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL891812 0.83 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL31545085 0.83 LMNA (0.70) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL9562893 0.82 LMNA (0.96) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL24956789 0.79 LMNA (0.66) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL5170826 0.79 LMNA (0.66) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL114630 0.79 LMNA (0.66) LMNACYP3A4ALOX15STAT3MEN1

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-1707185-A1 Solvent materials and methods for preparing fragrance compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-10-04 EP disclosed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US disclosed