SCHEMBL699996

SCHEMBL699996

Cc1ccc(NC(=O)C(O)C(O)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NMT1 P30419 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HTR1E P28566 1/20 0.47
S1PR3 Q99500 1/20 0.47
KIF11 P52732 1/20 0.46
TGM2 P21980 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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 1.00 MAPT (0.58) MAPTTDP1ALDH1A1LMNAHTT
SCHEMBL18137202 0.83 KMT2A (0.54) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL701232 0.83 KMT2A (0.54) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL14715852 0.82 POLB (0.57) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL1736418 0.82 POLB (0.57) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL1735243 0.82 POLB (0.57) MAPTALDH1A1LMNAHTTPOLB
Cadaverine Tartrate SCHEMBL28055270 0.82 TSHR (0.56) MAPTTDP1ALDH1A1LMNAHTT
SCHEMBL7827059 0.81 KMT2A (0.50) MAPTTDP1ALDH1A1HTTPOLB
SCHEMBL701689 0.81 HTT (0.58) ALDH1A1HTTPOLBNPC1RAB9A
SCHEMBL4100731 0.80 PLG (0.54) MAPTTDP1ALDH1A1LMNAHTT

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 4 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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed