SCHEMBL30281143

SCHEMBL30281143

CC(C)(C)OC(=O)N1CCCCCC1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.62
NR1H2 P55055 3/20 0.51
NR1H3 Q13133 3/20 0.51
HSD11B1 P28845 1/20 0.49
PRMT5 O14744 4/20 0.48
WDR77 Q9BQA1 4/20 0.48
GPR119 Q8TDV5 1/20 0.47
HCRTR2 O43614 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45

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
SCHEMBL17114341 0.99 RIPK1 (0.63) RIPK1NR1H2NR1H3HSD11B1PRMT5
SCHEMBL24365782 0.99 RIPK1 (0.63) RIPK1NR1H2NR1H3HSD11B1PRMT5
SCHEMBL7469150 0.99 RIPK1 (0.63) RIPK1NR1H2NR1H3HSD11B1PRMT5
Water SCHEMBL27902502 0.97 RIPK1 (0.62) RIPK1NR1H2NR1H3HSD11B1PRMT5
SCHEMBL27830000 0.95 RIPK1 (0.59) RIPK1NR1H2NR1H3HSD11B1PRMT5
SCHEMBL6960066 0.94 RIPK1 (0.69) RIPK1NR1H2NR1H3GPR119HCRTR2
SCHEMBL18642714 0.94 RIPK1 (0.69) RIPK1NR1H2NR1H3GPR119HCRTR2
SCHEMBL28193156 0.92 RIPK1 (0.56) RIPK1NR1H2NR1H3HSD11B1PRMT5
SCHEMBL27504373 0.90 RIPK1 (0.66) RIPK1NR1H2NR1H3GPR119HCRTR2
SCHEMBL4967031 0.86 RIPK1 (0.49) RIPK1NR1H2NR1H3TMEM97SIGMAR1

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
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed