SCHEMBL6513519

SCHEMBL6513519

C[C@@H](O)[C@H](NP(=O)(O)O)C(=O)O.O=C(O)[C@H](CO)NP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GGH Q92820 1/20 0.37
TGFBR1 P36897 3/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MME P08473 7/20 0.34
LAP3 P28838 2/20 0.33
ACE P12821 1/20 0.32
ECE1 P42892 1/20 0.31
CA2 P00918 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
SCHEMBL42674 0.86 TP53 (0.38) GGHMMELAP3ACEECE1
SCHEMBL42677 0.86 TP53 (0.38) GGHMMELAP3ACEECE1
SCHEMBL6845 0.84 TGFBR1 (0.43) GGHTGFBR1MMELAP3ACE
SCHEMBL6848 0.84 TGFBR1 (0.43) GGHTGFBR1MMELAP3ACE
SCHEMBL20798046 0.84 TGFBR1 (0.43) GGHTGFBR1MMELAP3ACE
SCHEMBL13720890 0.82 TGFBR1 (0.42) GGHTGFBR1MMELAP3ACE
SCHEMBL13720237 0.82 TGFBR1 (0.42) GGHTGFBR1MMELAP3ACE
SCHEMBL5654860 0.82 TGFBR1 (0.42) GGHTGFBR1MMELAP3ACE
SCHEMBL13720886 0.82 TGFBR1 (0.42) GGHTGFBR1MMELAP3ACE
Calcium SCHEMBL5654876 0.82 TGFBR1 (0.42) GGHTGFBR1MMELAP3ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050221287-A1 Functional inactivation of cxcr4-mediated responses in growth hormone transgenic mice through socs53 upregulation CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS PHARMACIA SPAIN, S.A. (ES) 2005-10-06 US disclosed
EP-1461614-A2 FUNCTIONAL INACTIVATION OF CXCR4-MEDIATED RESPONSES IN GROWTH HORMONE TRANSGENIC MICE THROUGH SOCS3 UPREGULATION CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2004-09-29 EP disclosed
WO-2003060521-A2 FUNCTIONAL INACTIVATION OF CXCR4-MEDIATED RESPONSES IN GROWTH HORMONE TRANSGENIC MICE THROUGH SOCS3 UPREGULATION CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-07-24 WO disclosed