SCHEMBL6570935

SCHEMBL6570935

C[C](C)C(C)C(=O)CCCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ALOX5 P09917 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
FAAH O00519 4/20 0.51
CES1 P23141 3/20 0.51
LTB4R Q15722 2/20 0.49
ACHE P22303 1/20 0.49
SGMS1 Q86VZ5 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 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
SCHEMBL6571373 0.98 MAPT (0.56) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL6572382 0.93 HDAC1 (0.56) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7450661 0.86 ALDH1A1 (0.60) HDAC1HDAC2SMN1; SMN2HDAC3MAPK1
SCHEMBL25834869 0.85 MAPT (0.65) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL19130442 0.85 MAPT (0.65) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL19130712 0.85 MAPT (0.65) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL2625206 0.85 MAPT (0.65) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL19130733 0.85 MAPT (0.65) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL12398374 0.85 MAPT (0.65) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL2440963 0.83 MAPT (0.61) MAPTRXFP1ALOX5HDAC1HDAC2

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