SCHEMBL4636640

SCHEMBL4636640

NCC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 7/20 0.53
▸ IGF2R P11717 2/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GJA1 P17302 1/20 0.45
▸ GJB2 P29033 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FGF1 P05230 1/20 0.42
▸ FGF2 P09038 1/20 0.42
▸ VEGFA P15692 1/20 0.42
▸ HPSE Q9Y251 1/20 0.42

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
SCHEMBL15518255 0.88 LGALS8 (0.56) LGALS8IGF2RMEN1KMT2AGJA1
SCHEMBL27494277 0.85 IGF2R (0.44) LGALS8IGF2RMEN1KMT2AGJA1
SCHEMBL4103172 0.84 LGALS8 (0.52) LGALS8IGF2RMEN1KMT2AGJA1
SCHEMBL28635537 0.83 LGALS8 (0.44) LGALS8IGF2RMEN1KMT2AGJA1
SCHEMBL1984503 0.82 LGALS8 (0.52) LGALS8IGF2RMEN1KMT2APTPN1
SCHEMBL4178440 0.82 KDM4E (0.56) LGALS8IGF2RMEN1KMT2AGJB2
Trehalose SCHEMBL4636635 0.82 IGF2R (0.56) IGF2RMEN1KMT2AGJA1GJB2
SCHEMBL19958457 0.81 TLR4 (0.50) IGF2RMEN1KMT2AGJA1GJB2
SCHEMBL4410620 0.80 MEN1 (0.58) LGALS8IGF2RMEN1KMT2AGJA1
SCHEMBL7567716 0.80 MEN1 (0.54) LGALS8MEN1KMT2AGJA1GJB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931306-A1 NON-PROTEIN STABILIZED CLOSTRIDIAL TOXIN PHARMACEUTICAL COMPOSITIONS Allergan, Inc. (US) 2008-06-18 — — EP disclosed
WO-2007041664-A1 NON-PROTEIN STABILIZED CLOSTRIDIAL TOXIN PHARMACEUTICAL COMPOSITIONS ALLERGAN, INC. (US) 2007-04-12 — — WO disclosed
WO-2005089503-A2 CD4-IGG2 FORMULATIONS PROGENICS PHARMACEUTICALS, INC. (US) 2005-09-29 — — WO disclosed
WO-2004084816-A2 IMPROVED CD4-IgG2 FORMULATIONS PROGENICS PHARMACEUTICALS, INC. (US) 2004-10-07 — — WO disclosed
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