SCHEMBL2855119

SCHEMBL2855119

CCC(CO)NCCNC(C)CCO

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
CNR1 P21554 1/20 0.68
ADRA1A P35348 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
KDM4E B2RXH2 1/20 0.68
ABCC3 O15438 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
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
SCHEMBL19630795 0.85 LMNA (0.77) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL20033137 0.85 LMNA (0.77) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL3951779 0.83 KDM4E (0.41) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL4029 0.82 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL3399 0.82 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL15479016 0.82 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL10867491 0.82 LMNA (0.36) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL2636850 0.82 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
Ethambutol SCHEMBL2961583 0.82 LMNA (1.00) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL30850134 0.82 LMNA (0.36) LMNACNR1ADRA1ATDP1KDM4E

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-2259799-A1 COMBINATION OF IMMUNOMODULATOR AND ANTI-PATHOGENIC AGENT Nunes, Iseu Da Silva (BR) 2010-12-15 EP disclosed
WO-2009097670-A1 COMBINATION OF IMMUNOMODULATOR AND ANTI-PATHOGENIC AGENT NUNES ISEU DA SILVA (BR) 2009-08-13 WO disclosed