SCHEMBL6569154

SCHEMBL6569154

CC(C)CCC(=O)CCCCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.62
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH1 P35367 2/20 0.48
PTAFR P25105 3/20 0.47
CYP2A6 P11509 1/20 0.46
MAPT P10636 1/20 0.46
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL7510148 0.99 TBXAS1 (0.63) TBXAS1TDP1L3MBTL1HRH1PTAFR
SCHEMBL7448948 0.96 TBXAS1 (0.56) TBXAS1TDP1L3MBTL1HRH1PTAFR
Bicarbonate SCHEMBL9520631 0.83 TBXAS1 (0.64) TBXAS1TDP1L3MBTL1HRH1PTAFR
SCHEMBL6571377 0.82 LMNA (0.57) MAPT
SCHEMBL6570937 0.81 MAPT (0.59) MAPTTRPV1
SCHEMBL7760926 0.81 TDP1 (0.64) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL12197971 0.80 TDP1 (0.62) TBXAS1TDP1L3MBTL1HRH1CYP2A6
Bromide SCHEMBL18838899 0.79 TDP1 (0.61) TBXAS1TDP1L3MBTL1HRH1CYP2A6
SCHEMBL9520246 0.78 TBXAS1 (0.62) TBXAS1TDP1L3MBTL1HRH1CYP2A6
Acetic Acid SCHEMBL28309069 0.78 TBXAS1 (0.54) TBXAS1TDP1L3MBTL1

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-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
WO-2001079177-A1 CYCLIC DIAZA COMPOUNDS FOR TREATING NEURODEGENERATIVE DISORDERS GPI NIL HOLDINGS, INC. (US) 2001-10-25 WO disclosed