SCHEMBL9699292

SCHEMBL9699292

CCC(CN1CCOCC1)C1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)OC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SOAT1 P35610 2/20 0.39
KCNJ4 P48050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR7 Q9NYK1 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL9698130 0.91 SOAT1 (0.41) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL9697951 0.90 SOAT1 (0.39) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL9700434 0.84 SOAT1 (0.33) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL9698749 0.83 SOAT1 (0.40) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL9737635 0.80 SOAT1 (0.38) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL9737457 0.79 SOAT1 (0.48) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL9698751 0.78 SOAT1 (0.50) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL9699277 0.78 SOAT1 (0.48) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL9700139 0.78 SOAT1 (0.65) SOAT1
SCHEMBL9700095 0.75 SOAT1 (0.43) KDM4ETSHRALDH1A1HPGDHSD17B10

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-0506437-A1 Imidazoles RHONE POULENC RORER LIMITED (GB) 1992-09-30 EP disclosed