SCHEMBL701689

SCHEMBL701689

COc1ccc(NC(=O)C(O)C(O)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 3/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
KLK7 P49862 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.50
NLRP3 Q96P20 1/20 0.50
TGM2 P21980 1/20 0.50

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
SCHEMBL4086777 0.81 MAPT (0.58) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL699996 0.81 MAPT (0.58) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL31185236 0.81 HTT (0.68) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL147291 0.81 HTT (0.73) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL29279417 0.81 HTT (0.68) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8255335 0.79 RAB9A (0.61) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL18137202 0.79 KMT2A (0.54) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL701232 0.79 KMT2A (0.54) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL2608943 0.79 HTT (0.70) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL16788260 0.78 KMT2A (0.55) HTTRAB9ANPC1SMN1; SMN2KMT2A

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
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 EP disclosed
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 EP disclosed