SCHEMBL9984104

SCHEMBL9984104

CN(C)CCCCCCOC(=O)C=CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.67
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HRH1 P35367 1/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9984098 1.00 HCAR2 (0.67) HCAR2ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL9984524 1.00 HCAR2 (0.67) HCAR2ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL11258405 0.98 HCAR2 (0.66) HCAR2ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL30356595 0.93 HCAR2 (0.65) HCAR2ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL543771 0.93 ATM (0.55) HCAR2ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL544702 0.93 ATM (0.55) HCAR2ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL543769 0.93 ATM (0.55) HCAR2ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL11251326 0.91 ATM (0.57) HCAR2ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL17695739 0.86 ALDH1A1 (0.50) HCAR2ATMALDH1A1KDM4ESMN1; SMN2
SCHEMBL17695740 0.86 ALDH1A1 (0.50) HCAR2ATMALDH1A1KDM4ESMN1; SMN2

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-2223958-B1 Rubber composition BRIDGESTONE CORP (JP) 2011-12-28 EP disclosed