SCHEMBL19827331

SCHEMBL19827331

CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCCC)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ DEGS1 O15121 3/20 0.45
▸ CETP P11597 4/20 0.43
▸ THRB P10828 1/20 0.43
▸ PLA2G4A P47712 2/20 0.41
▸ FAAH O00519 2/20 0.41
▸ ASAH1 Q13510 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ PRSS1 P07477 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ CTRB1 P17538 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.37
▸ PLA2G2C Q5R387 1/20 0.37

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
SCHEMBL12632771 1.00 MEN1 (0.53) MEN1KMT2ADEGS1CETPTHRB
SCHEMBL15281661 1.00 MEN1 (0.53) MEN1KMT2ADEGS1CETPTHRB
SCHEMBL15281660 0.98 MEN1 (0.50) MEN1KMT2ADEGS1CETPTHRB
SCHEMBL16588596 0.92 MEN1 (0.42) MEN1KMT2ADEGS1CETPTHRB
SCHEMBL17035837 0.89 CNR2 (0.50) MEN1KMT2ADEGS1CETPTHRB
SCHEMBL16588609 0.89 MEN1 (0.43) MEN1KMT2ADEGS1PRSS1CTSG
SCHEMBL21914995 0.87 MEN1 (0.53) MEN1KMT2ADEGS1CETPTHRB
SCHEMBL19827423 0.86 PRSS1 (0.42) MEN1KMT2ADEGS1FAAHASAH1
SCHEMBL21914999 0.86 MEN1 (0.49) MEN1KMT2ADEGS1CETPTHRB
SCHEMBL19827418 0.86 MEN1 (0.51) MEN1KMT2ADEGS1CETPTHRB

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-3046587-B1 PROTEIN AND PEPTIDE-FREE SYNTHETIC VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE TYPE 3 MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS (DE) 2018-01-31 — — EP disclosed
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