SCHEMBL7595779

SCHEMBL7595779

CCCCn1ccc(=O)n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 6/20 0.41
CYP1A2 P05177 1/20 0.41
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
RGS4 P49798 1/20 0.39
RGS8 P57771 1/20 0.39
ADORA2A P29274 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
TYR P14679 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
SCHEMBL27370892 0.88 HSD17B13 (0.43) HSD17B13CYP1A2ADORA2A
SCHEMBL24665500 0.82 HSD17B13 (0.44) HSD17B13ALDH1A1
SCHEMBL2347364 0.81 ADORA2B (0.45) HSD17B13DRD2DRD3
SCHEMBL27362845 0.79 ALDH1A1 (0.47) ALDH1A1NPSR1POLBKMT2ARGS4
SCHEMBL19359494 0.78 TSHR (0.50) HSD17B13ALDH1A1POLBKMT2ALMNA
SCHEMBL4551700 0.77 TLR8 (0.41) ALDH1A1NPSR1POLBLMNATSHR
SCHEMBL18357379 0.76 HSD17B13 (0.39) HSD17B13DRD2DRD3
SCHEMBL19359478 0.76 FAAH (0.49) POLBLMNATSHRTDP1L3MBTL1
SCHEMBL5610519 0.76 HSD17B13 (0.43) HSD17B13
SCHEMBL13947776 0.76 HSD17B13 (0.43) HSD17B13

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
EP-0637965-B1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES ISIS PHARMACEUTICALS INC (US) 2002-10-16 EP claimed