SCHEMBL7434948

SCHEMBL7434948

OCC(O)C1COc2ccccc2O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.46
NISCH Q9Y2I1 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
ESR2 Q92731 1/20 0.41

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
SCHEMBL11055545 0.85 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL11055550 0.85 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL11279575 0.85 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL10991807 0.85 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL7434736 0.85 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL7443199 0.85 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A
Hydrochloric Acid SCHEMBL7437739 0.83 LMNA (0.49) LMNAMAPTSMN1; SMN2NPSR1KMT2A
Bendacalol SCHEMBL11047717 0.83 LMNA (0.52) LMNAMAPTSMN1; SMN2NPSR1KMT2A
Bendacalol SCHEMBL11050612 0.82 LMNA (0.51) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL10832049 0.81 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1KMT2A

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
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed