SCHEMBL11258405

SCHEMBL11258405

CN(C)CCCCOC(=O)/C=C\C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.66
ATM Q13315 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HRH1 P35367 1/20 0.43
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 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
SCHEMBL9984104 0.98 HCAR2 (0.67) HCAR2ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL9984524 0.98 HCAR2 (0.67) HCAR2ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL9984098 0.98 HCAR2 (0.67) HCAR2ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL30356595 0.95 HCAR2 (0.65) HCAR2ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL11251326 0.93 ATM (0.57) HCAR2ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL543769 0.91 ATM (0.55) HCAR2ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL544702 0.91 ATM (0.55) HCAR2ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL543771 0.91 ATM (0.55) HCAR2ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL5540490 0.87 HCAR2 (0.62) HCAR2ATMALDH1A1SMN1; SMN2LMNA
SCHEMBL3134066 0.87 HCAR2 (0.62) HCAR2ATMALDH1A1SMN1; SMN2LMNA

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
US-4323363-A DISPERSE DYE USED ON POLYESTERS MIXED WITH CELLULOSE CASSELLA AKTIENGESELLSCHAFT (DE) 1982-04-06 US disclosed