SCHEMBL9855809

SCHEMBL9855809

C#CCCCOc1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.62
JAK2 O60674 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
APP P05067 1/20 0.42
TSHR P16473 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL5621969 0.82 GAA (0.82) GAAJAK2LMNAMAPTDRD2
SCHEMBL9045649 0.82 GAA (0.82) GAAJAK2LMNAMAPTDRD2
SCHEMBL24011910 0.80 GAA (0.78) GAAJAK2LMNAMAPTDRD2
SCHEMBL9123832 0.80 GAA (0.78) GAAJAK2LMNAMAPTDRD2
SCHEMBL2637278 0.80 GAA (0.95) GAAJAK2LMNAMAPTDRD2
SCHEMBL5669332 0.79 MAPT (0.57) GAAJAK2LMNAMAPTDRD2
SCHEMBL25433146 0.78 CYP2D6 (0.50) LMNAMAPTDRD2DRD4DRD3
SCHEMBL29434581 0.76 GAA (0.72) GAAJAK2LMNAMAPTDRD2
SCHEMBL9152183 0.76 GAA (0.72) GAAJAK2LMNAMAPTDRD2
SCHEMBL2349415 0.76 GAA (0.72) GAAJAK2LMNAMAPTDRD2

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed