SCHEMBL9694792

SCHEMBL9694792

O=CCCOc1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.64
JAK2 O60674 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
APP P05067 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL11470280 0.91 GAA (0.62) GAAJAK2LMNAMAPTDRD2
SCHEMBL6337049 0.82 GAA (0.59) GAAJAK2LMNAMAPTDRD2
SCHEMBL2637278 0.81 GAA (0.95) GAAJAK2LMNAMAPTDRD2
SCHEMBL3388855 0.81 GAA (0.64) GAAJAK2LMNAMAPTDRD2
SCHEMBL5621969 0.79 GAA (0.82) GAAJAK2LMNAMAPTDRD2
SCHEMBL9045649 0.79 GAA (0.82) GAAJAK2LMNAMAPTDRD2
SCHEMBL28309852 0.78 ALDH1A1 (0.77) GAALMNAMAPTHPGDSMN1; SMN2
SCHEMBL24011910 0.77 GAA (0.78) GAAJAK2LMNAMAPTDRD2
SCHEMBL9123832 0.77 GAA (0.78) GAAJAK2LMNAMAPTDRD2
SCHEMBL2561095 0.77 L3MBTL1 (0.53) MAPTHPGDSMN1; SMN2ALDH1A1HTT

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-0498770-A1 Certain benzodioxole, benzodioxane and benzodioxepin derivatives CIBA-GEIGY AG (CH) 1992-08-12 EP disclosed
US-5120758-A Treating allergic, inflammatory, cardiovascular, pulmonary, arthritic, cutaneous disorders CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed