SCHEMBL9200215

SCHEMBL9200215

CC(C)COC(=O)N1CCCC(O)C1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 2/20 0.44
ACE2 Q9BYF1 2/20 0.42
ADAM10 O14672 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
HCRTR2 O43614 2/20 0.41
P2RX4 Q99571 1/20 0.40
RIPK1 Q13546 1/20 0.40
PREP P48147 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL8157683 0.82 PREP (0.53) RAB9ATSHRACE2PREP
SCHEMBL8059786 0.82 CHRM2 (0.46) TSHRACE2HCRTR2RIPK1PRMT5
SCHEMBL9274408 0.82 CHRM2 (0.46) TSHRACE2HCRTR2RIPK1PRMT5
SCHEMBL9024840 0.79 RIPK1 (0.52) TSHRALDH1A1HCRTR2RIPK1
SCHEMBL9025059 0.79 RIPK1 (0.52) TSHRALDH1A1HCRTR2RIPK1
SCHEMBL5784217 0.79 RIPK1 (0.52) TSHRALDH1A1HCRTR2RIPK1
SCHEMBL8125588 0.79 RIPK1 (0.52) TSHRALDH1A1HCRTR2RIPK1
SCHEMBL9023721 0.79 RIPK1 (0.52) TSHRALDH1A1HCRTR2RIPK1
SCHEMBL8121365 0.79 RIPK1 (0.52) TSHRALDH1A1HCRTR2RIPK1
SCHEMBL5968844 0.77 RIPK1 (0.51) TSHRALDH1A1RIPK1DPP4DPP8

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-0636130-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LTD. (GB) 1995-02-01 EP disclosed