SCHEMBL19389554

SCHEMBL19389554

B[C@@H]1O[C@H](CO)C(OP(C)(=O)O)[C@@H]1OCCCN

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IGF2R P11717 7/20 0.34
▸ ITPR3 Q14573 1/20 0.32
▸ ITPR1 Q14643 1/20 0.32
▸ TLR4 O00206 1/20 0.31
▸ LY96 Q9Y6Y9 1/20 0.31
▸ GJB2 P29033 1/20 0.30

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
SCHEMBL17520392 1.00 IGF2R (0.34) IGF2RITPR3ITPR1TLR4LY96
SCHEMBL26029373 0.90 LY96 (0.34) IGF2RTLR4LY96
SCHEMBL21202642 0.89 IGF2R (0.31) IGF2RGJB2
SCHEMBL10005839 0.88 ITPR3 (0.30) ITPR3ITPR1
SCHEMBL19608814 0.88 ITPR3 (0.30) ITPR3ITPR1
SCHEMBL1642428 0.88 ITPR3 (0.30) ITPR3ITPR1
SCHEMBL13706079 0.85 TLR4 (0.31) TLR4LY96
SCHEMBL26029385 0.85 TLR4 (0.31) TLR4LY96
SCHEMBL19768566 0.80 IGF2R (0.35) IGF2R
SCHEMBL8059872 0.79 LGALS8 (0.34) TLR4LY96

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-3004352-B1 OLIGONUCLEOTIDE MODULATORS OF B-CELL CLL/LYMPHOMA 11A (BCL11A) AND USES THEREOF ROCHE INNOVATION CT COPENHAGEN AS (DK) 2017-09-27 — — EP disclosed
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