SCHEMBL47328

SCHEMBL47328

CCN(CC)c1ccc2cc(C(=O)NCC(C)(CC)OCC(C)C(=O)NCCc3ccc(O)cc3)c(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 7/20 0.51
AKR1B1 P15121 6/20 0.51
AKR1A1 P14550 2/20 0.46
CBR1 P16152 2/20 0.46
AKR1C4 P17516 2/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAOB P27338 2/20 0.45
ATM Q13315 2/20 0.45
HPGD P15428 2/20 0.45
GBA1 P04062 1/20 0.45

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
SCHEMBL14155417 0.83 KMT2A (0.53) CTSSCTSKMEN1MAPTKMT2A
SCHEMBL15298966 0.83 AKR1B10 (0.74) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL10134566 0.81 AKR1B10 (0.54) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL43817 0.75 AKR1B10 (0.59) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL18470199 0.72 MEN1 (0.70) CTSSCTSKMEN1MAPTKMT2A
SCHEMBL8398863 0.72 KMT2A (0.60) CTSSCTSKMEN1MAPTKMT2A
SCHEMBL16293207 0.71 KMT2A (0.73) CTSSCTSKMEN1MAPTKMT2A
SCHEMBL13081989 0.71 KMT2A (0.70) CTSSCTSKMEN1MAPTKMT2A
SCHEMBL13403918 0.71 KMT2A (0.71) CTSSCTSKMEN1MAPTKMT2A
SCHEMBL19828569 0.71 ALDH1A1 (0.54) CTSSCTSKMEN1MAPTKMT2A

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
WO-2012003476-A2 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 WO disclosed