SCHEMBL16476478

SCHEMBL16476478

CCOCCOCCOCCOCCNC(=O)CSC[C@H](C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 1/20 0.35
▸ ADRB2 P07550 3/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ TLR2 O60603 4/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12989790 0.84 MEN1 (0.35) MEN1KMT2ATSHRADRB2HTR1A
SCHEMBL18313748 0.79 MEN1 (0.49) MEN1KMT2AADRB2HTR1ATLR2
SCHEMBL24602591 0.77 MEN1 (0.44) MEN1KMT2AADRB2HTR1ATLR2
SCHEMBL18313631 0.75 MEN1 (0.41) MEN1KMT2AADRB2HTR1ATLR2
SCHEMBL24602601 0.75 MEN1 (0.41) MEN1KMT2AADRB2HTR1ATLR2
SCHEMBL15697747 0.75 MEN1 (0.42) MEN1KMT2ATSHREPHX2POLB
SCHEMBL23589933 0.74 KMT2A (0.44) MEN1KMT2AADRB2HTR1APOLB
SCHEMBL23589931 0.74 KMT2A (0.44) MEN1KMT2AADRB2HTR1APOLB
SCHEMBL14683542 0.74 GLP1R (0.43) MEN1KMT2ATSHREPHX2ALDH1A1
SCHEMBL18120321 0.73 TLR2 (0.45) TLR2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629101-B2 Cholesterol derivatives of inhibitors of viral fusion ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2014-01-14 — — US disclosed
US-8629101-B2 Cholesterol derivatives of inhibitors of viral fusion ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2014-01-14 — — US disclosed
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