SCHEMBL6571377

SCHEMBL6571377

CC(C)CCC(=O)CCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
MAPT P10636 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALOX5 P09917 3/20 0.53
HPGD P15428 2/20 0.53
TRPA1 O75762 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 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
SCHEMBL6570937 0.98 MAPT (0.59) LMNAPKMMAPTRXFP1ALOX5
SCHEMBL6572384 0.95 LMNA (0.63) LMNAPKMMAPTRXFP1ALOX5
SCHEMBL7450667 0.88 ALDH1A1 (0.55) LMNAPKMALOX5HPGDTRPA1
SCHEMBL4886613 0.86 MAPT (0.73) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL11137519 0.84 MAPT (0.77) MAPTRXFP1ALOX5TRPA1HDAC1
SCHEMBL1508071 0.84 MAPT (0.77) MAPTRXFP1ALOX5TRPA1HDAC1
SCHEMBL28609434 0.84 MAPT (0.77) MAPTRXFP1ALOX5TRPA1HDAC1
SCHEMBL7007779 0.83 MAPT (0.61) LMNAPKMMAPTRXFP1ALOX5
SCHEMBL6569154 0.82 TBXAS1 (0.62) MAPT
SCHEMBL19625551 0.82 MAPT (0.68) MAPTRXFP1ALOX5TRPA1ALDH1A1

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