SCHEMBL12834780

SCHEMBL12834780

CC(C)CCCNC(=O)CCO

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.58
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
CNR1 P21554 3/20 0.43
HPGD P15428 1/20 0.43
CNR2 P34972 1/20 0.43
CASP2 P42575 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DNM1 Q05193 1/20 0.40
FAAH O00519 1/20 0.38

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
SCHEMBL12346203 0.88 NAAA (0.50) NAAAALDH1A1LMNAPKMCNR1
SCHEMBL16248615 0.88 ALDH1A1 (0.57) NAAAALDH1A1LMNAPKMCNR1
SCHEMBL26733411 0.88 ALDH1A1 (0.52) NAAAALDH1A1LMNAPKMCNR1
SCHEMBL23471810 0.86 ALDH1A1 (0.50) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL12346208 0.85 NAAA (0.47) NAAAALDH1A1LMNAPKMCNR1
SCHEMBL4904632 0.84 CASP2 (0.62) NAAAALDH1A1LMNAPKMCNR1
SCHEMBL24826063 0.84 CNR1 (0.52) ALDH1A1LMNAPKMCNR1HPGD
SCHEMBL19161331 0.83 KMT2A (0.43) NAAAALDH1A1LMNAPKMCNR1
SCHEMBL18313728 0.83 ALDH1A1 (0.52) NAAAALDH1A1LMNAPKMCNR1
SCHEMBL16390142 0.83 CNR1 (0.49) NAAAALDH1A1LMNAPKMCNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298356-A2 Multivalent VLA-4 antagonists comprising polymer moieties ELAN PHARMACEUTICALS, INC. (US) 2011-03-23 EP disclosed
EP-2258400-A2 Multivalent VLA-4 antagonists comprising polymer moieties ELAN PHARMACEUTICALS, INC. (US) 2010-12-08 EP disclosed
EP-2258399-A2 Multivalent VLA-4 antagonists comprising polymer moieties Elan Pharmaceuticals Inc. (US) 2010-12-08 EP disclosed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed