SCHEMBL9169599

SCHEMBL9169599

C=C(C)CC(C)(C(C)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.40
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9785123 0.90 TET2 (0.43) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL11289286 0.80 CYP2C19 (0.52) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL15074875 0.75 TET2 (0.43) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL10011850 0.73 TET2 (0.64) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL9077903 0.73 MMP8 (0.42) TSHRALDH1A1
SCHEMBL93137 0.72 ALDH1A1 (0.38) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL2345386 0.72 TET2 (0.39) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL16583132 0.72 TSHR (0.38) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL9579482 0.72 TET2 (0.34) TET2TSHRCYP2D6CYP2C19HIF1A
SCHEMBL25660671 0.71 GGT1 (0.43) TET2TSHRCYP2D6CYP2C19HIF1A

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-0405427-B1 Aromatic compounds, process for their preparation and their use as perfuming ingredients FIRMENICH & CIE (CH) 1995-03-29 EP disclosed
EP-0405427-A2 Aromatic compounds, process for their preparation and their use as perfuming ingredients FIRMENICH SA (CH) 1991-01-02 EP disclosed