SCHEMBL20101709

SCHEMBL20101709

CC(C)(C)OC(=O)N1CCN(c2ccc(CO)c(Br)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SUV39H2 Q9H5I1 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 1/20 0.50
ESRRB O95718 1/20 0.49
ESR1 P03372 1/20 0.49
ESRRA P11474 1/20 0.49
ESRRG P62508 1/20 0.49
PDK2 Q15119 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR119 Q8TDV5 6/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL28690324 0.90 LMNA (0.53) LMNAMAPTALDH1A1SUV39H2SMN1; SMN2
SCHEMBL24379385 0.89 MAPT (0.56) LMNAMAPTALDH1A1SUV39H2SMN1; SMN2
SCHEMBL16622221 0.84 MAPT (0.52) LMNAMAPTALDH1A1SUV39H2SMN1; SMN2
SCHEMBL31630879 0.82 MAPT (0.55) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL15863100 0.82 MAPT (0.58) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL20046702 0.82 LMNA (0.52) LMNAMAPTALDH1A1SUV39H2SMN1; SMN2
SCHEMBL16597605 0.81 MAPT (0.54) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL12331686 0.81 MAPT (0.56) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL30180045 0.81 MAPT (0.56) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL28681685 0.81 MAPT (0.51) LMNAMAPTALDH1A1SUV39H2SMN1; SMN2

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-20180118943-A1 PH SENSITIVE FLUORESCENT PROBE THE UNIVERSITY OF TOKYO (JP) 2018-05-03 US disclosed