SCHEMBL6570937

SCHEMBL6570937

CC(C)CCC(=O)CCCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
TRPA1 O75762 1/20 0.54
ALOX5 P09917 3/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
FAAH O00519 3/20 0.51
CES1 P23141 3/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
CAPN1 P07384 1/20 0.49
ACHE P22303 1/20 0.49
SGMS1 Q86VZ5 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49

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
SCHEMBL6571377 0.98 LMNA (0.57) MAPTRXFP1LMNAPKMTRPA1
SCHEMBL6572384 0.93 LMNA (0.63) MAPTRXFP1LMNAPKMTRPA1
SCHEMBL7450667 0.86 ALDH1A1 (0.55) LMNAPKMTRPA1ALOX5HDAC2
SCHEMBL1508071 0.86 MAPT (0.77) MAPTRXFP1TRPA1ALOX5HDAC1
SCHEMBL28609434 0.86 MAPT (0.77) MAPTRXFP1TRPA1ALOX5HDAC1
SCHEMBL11137519 0.86 MAPT (0.77) MAPTRXFP1TRPA1ALOX5HDAC1
SCHEMBL7007779 0.85 MAPT (0.61) MAPTRXFP1LMNAPKMTRPA1
SCHEMBL4886613 0.84 MAPT (0.73) MAPTRXFP1ALOX5HDAC1HDAC2
Bicarbonate SCHEMBL28245804 0.83 LMNA (0.58) MAPTRXFP1LMNAPKMTRPA1
SCHEMBL7510148 0.83 TBXAS1 (0.63) MAPT

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