SCHEMBL6572384

SCHEMBL6572384

CC(C)CCC(=O)CCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
PKM P14618 1/20 0.63
HPGD P15428 2/20 0.58
HDAC1 Q13547 4/20 0.56
HDAC3 O15379 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
SLC6A3 Q01959 1/20 0.56
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51

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 0.95 LMNA (0.57) LMNAPKMHPGDHDAC1HDAC3
SCHEMBL6570937 0.93 MAPT (0.59) LMNAPKMHPGDHDAC1HDAC3
SCHEMBL7450667 0.89 ALDH1A1 (0.55) LMNAPKMHPGDHDAC2HDAC8
SCHEMBL5674267 0.85 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL2443833 0.84 HPGD (0.59) LMNAPKMHPGDHDAC1HDAC3
SCHEMBL7448948 0.82 TBXAS1 (0.56) LMNAPKMTDP1
SCHEMBL19561359 0.81 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL14672760 0.80 HDAC3 (0.62) HPGDHDAC1HDAC3HDAC2HDAC8
SCHEMBL105937 0.80 L3MBTL1 (0.54) LMNAPKMHPGDHDAC8HDAC6
SCHEMBL11133636 0.80 HDAC1 (0.62) HPGDHDAC1HDAC3HDAC2HDAC8

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