SCHEMBL11210148

SCHEMBL11210148

Cc1ccc(NCC(O)C(O)C(O)CO)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
MAPK1 P28482 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 4/20 0.51
HTT P42858 2/20 0.42
VDR P11473 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4826263 1.00 MAPT (0.52) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL11211602 1.00 MAPT (0.52) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL4965137 0.78 SMN1; SMN2 (0.49) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL9435169 0.76 SMN1; SMN2 (0.50) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL11038064 0.75 MAPT (0.57) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL12327881 0.74 SMN1; SMN2 (0.47) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL11681121 0.74 KMT2A (0.55) MAPTMAPK1SMN1; SMN2KMT2AMEN1
Adonitol SCHEMBL19182208 0.73 ALDH1A1 (0.38) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL9651830 0.73 MAPT (0.50) MAPTMAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL10681604 0.72 MAPT (0.51) MAPTMAPK1SMN1; SMN2KMT2AMEN1

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
EP-0020959-B1 PROCESS FOR THE PREPARATION OF RIBOFLAVIN MERCK PATENT GmbH (DE) 1983-06-29 EP disclosed
US-4355158-A Process for the preparation of riboflavin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-10-19 US disclosed
EP-0020959-A1 Process for the preparation of riboflavin MERCK PATENT GmbH (DE) 1981-01-07 EP disclosed