SCHEMBL14367882

SCHEMBL14367882

COC[C@H]1COc2cccc(F)c2O1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.53
ADRA1A P35348 10/20 0.53
ADRA1B P35368 10/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.47
CA2 P00918 2/20 0.42
HTR1A P08908 2/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 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
SCHEMBL14367867 1.00 ADRA1D (0.53) ADRA1DADRA1AADRA1BL3MBTL1MAPK1
SCHEMBL13672067 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BL3MBTL1CA2
SCHEMBL31129268 0.81 ADRA1D (0.45) ADRA1DADRA1AADRA1BL3MBTL1MAPK1
SCHEMBL6974656 0.80 ADRA1A (0.47) ADRA1DADRA1AADRA1BL3MBTL1MAPK1
SCHEMBL1021052 0.80 ADRA1A (0.47) ADRA1DADRA1AADRA1BL3MBTL1MAPK1
SCHEMBL14367866 0.79 POLB (0.53) ADRA1DADRA1AADRA1BL3MBTL1MAPK1
SCHEMBL14367881 0.79 POLB (0.53) ADRA1DADRA1AADRA1BL3MBTL1MAPK1
SCHEMBL6174128 0.79 POLB (0.53) ADRA1DADRA1AADRA1BL3MBTL1MAPK1
SCHEMBL27374312 0.78 ADRA1D (0.47) ADRA1DADRA1AADRA1BL3MBTL1MAPK1
SCHEMBL5844958 0.77 LMNA (0.46) ADRA1DADRA1AADRA1BL3MBTL1MAPK1

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-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed