SCHEMBL10316802

SCHEMBL10316802

CCCCCCCCCCCCCC(CC1CCCC(C)(C)C1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
METAP2 P50579 1/20 0.36
CA2 P00918 1/20 0.36
LTB4R Q15722 5/20 0.35
LTB4R2 Q9NPC1 4/20 0.35
EPHX2 P34913 1/20 0.34
CPB2 Q96IY4 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CCR2 P41597 1/20 0.32
TSHR P16473 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
SCHEMBL3904244 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMETAP2CA2GRIK1
SCHEMBL7030297 0.82 ALDH1A1 (0.61) ALDH1A1KMT2AMETAP2CA2EPHX2
SCHEMBL4033466 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AMETAP2CA2GRIK1
SCHEMBL3143573 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AMETAP2CA2GRIK1
SCHEMBL9572262 0.72 ALDH1A1 (0.50) ALDH1A1KMT2AMETAP2CA2EPHX2
SCHEMBL31032467 0.71 ALDH1A1 (0.52) ALDH1A1KMT2AMETAP2CA2GRIK1
SCHEMBL31032481 0.71 ALDH1A1 (0.56) ALDH1A1KMT2AMETAP2CA2GRIK1
SCHEMBL5380714 0.71 ALDH1A1 (0.52) ALDH1A1KMT2AMETAP2CA2GRIK1
SCHEMBL8735264 0.70 ALDH1A1 (0.58) ALDH1A1KMT2AMETAP2CA2GRIK1
SCHEMBL8737263 0.70 ALDH1A1 (0.58) ALDH1A1KMT2AMETAP2CA2GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134377-B1 FRAGRANCE DISPENSER SYMRISE AG (DE) 2012-07-18 EP claimed