SCHEMBL8051887

SCHEMBL8051887

CC(C)CNCC1CCN(C(=O)CN2CCOCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
NAMPT P43490 2/20 0.41
NPY5R Q15761 2/20 0.40
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 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
SCHEMBL102116 0.83 HSD17B10 (0.60) ALOX15TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL8429458 0.79 HSD17B10 (0.66) ALOX15TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL2603227 0.77 HSD17B10 (0.64) ALOX15TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL14393742 0.76 HSD17B10 (0.62) ALOX15TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL2606058 0.75 HSD17B10 (0.70) ALOX15TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL31627544 0.74 HSD17B10 (0.58) ALOX15TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL16216045 0.73 HSD17B10 (0.71) ALOX15TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL18909382 0.73 TSHR (0.61) ALOX15TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL31717947 0.73 HSD17B10 (1.00) ALOX15TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL26981196 0.73 HSD17B10 (0.91) ALOX15TSHRHSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed