SCHEMBL3264345

SCHEMBL3264345

O=C(O)C1CCN(CO)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
S1PR5 Q9H228 7/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
NOTUM Q6P988 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 2/20 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
SCHEMBL9839122 0.86 L3MBTL1 (0.44) SMN1; SMN2L3MBTL1LTA4H
SCHEMBL883999 0.83 SMN1; SMN2 (0.44) CYP1A2S1PR5S1PR4S1PR1S1PR3
SCHEMBL13740434 0.81 SMN1; SMN2 (0.57) CYP1A2S1PR5S1PR4S1PR1S1PR3
SCHEMBL1463818 0.81 S1PR5 (0.43) CYP1A2S1PR5S1PR4S1PR1S1PR3
SCHEMBL13739335 0.81 SMN1; SMN2 (0.57) CYP1A2S1PR5S1PR4S1PR1S1PR3
SCHEMBL934458 0.81 SMN1; SMN2 (0.57) CYP1A2S1PR5S1PR4S1PR1S1PR3
SCHEMBL1361559 0.81 S1PR5 (0.43) CYP1A2S1PR5S1PR4S1PR1S1PR3
SCHEMBL2707889 0.81 S1PR5 (0.43) CYP1A2S1PR5S1PR4S1PR1S1PR3
SCHEMBL1361486 0.80 S1PR4 (0.43) S1PR5S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL22465761 0.79 SMN1; SMN2 (0.44) CYP1A2S1PR5S1PR4S1PR1S1PR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049678-A2 TREATMENT OF ENERGY UTILIZATION DISEASES SUMMIT CORPORATION PLC (GB) 2010-05-06 WO disclosed
WO-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 WO disclosed
WO-2010015815-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2010-02-11 WO disclosed