SCHEMBL9873096

SCHEMBL9873096

CC(C)(C)COCCC/C=C/CC/C=C/CCCO

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 2/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TSHR P16473 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL9873101 1.00 GBA2 (0.35) GBA2CYP4F2CYP4A11TSHRLPAR3
SCHEMBL5961026 0.81 GBA2 (0.41) GBA2CYP4F2CYP4A11TSHR
SCHEMBL25939789 0.80 ACLY (0.34) GBA2
SCHEMBL14618012 0.80 LPAR3 (0.38) TSHRLPAR3
SCHEMBL25939788 0.80 GBA2 (0.30) GBA2
SCHEMBL3103683 0.79 GBA2 (0.44) GBA2CYP4F2CYP4A11TSHR
SCHEMBL5961104 0.77 GBA2 (0.46) GBA2CYP4F2CYP4A11TSHR
SCHEMBL19426852 0.77 MEN1 (0.41) GBA2CYP4F2CYP4A11TSHR
SCHEMBL7822632 0.76 GBA2 (0.30) GBA2
SCHEMBL23612872 0.76 LSS (0.31) TSHR

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-4990495-A Conferring, enhancing, improving or modifying odor properties FIRMENICH S.A. (CH) 1991-02-05 US disclosed
EP-0374445-A1 Oxygenated cyclic compounds, their use as perfuming ingredients, process for their preparation FIRMENICH SA (CH) 1990-06-27 EP disclosed