SCHEMBL2819346

SCHEMBL2819346

N=[C]C1O[C@H](CO)[C@@H](O)[C@H]1OP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.41
ITPR3 Q14573 5/20 0.40
ITPR2 Q14571 2/20 0.40
ITPR1 Q14643 2/20 0.40
ADORA1 P30542 1/20 0.40
INPP5A Q14642 1/20 0.39

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
SCHEMBL1252572 0.86 SMPD1 (0.42) SMPD1ITPR3ITPR2ITPR1ADORA1
SCHEMBL851492 0.79 SMPD1 (0.45) SMPD1ITPR3ITPR2ITPR1INPP5A
SCHEMBL5381912 0.78 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4595256 0.78 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL7796118 0.78 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL5378658 0.78 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL30237668 0.78 SMPD1 (0.54) SMPD1ITPR3ITPR2ITPR1INPP5A
SCHEMBL4596697 0.78 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4143599 0.77 SMPD1 (0.47) SMPD1ITPR3ITPR2ITPR1
SCHEMBL2045173 0.76 SMPD1 (0.45) SMPD1ITPR3ITPR2ITPR1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037363-A1 AMMONIA-OXIDIZING NITROSOMONAS EUTROPHA STRAIN D23 AOBIOME LLC (US) 2017-02-09 US disclosed
US-20130217592-A1 ARRAYS AND METHODS COMPRISING M. SMITHII GENE PRODUCTS THE WASHINGTON UNIVERSITY (US) 2013-08-22 US disclosed
US-20100184624-A1 ARRAYS AND METHODS COMPRISING M. SMITHII GENE PRODUCTS THE WASHINGTON UNIVERSITY (US) 2010-07-22 US disclosed
US-20070072265-A1 Expression vector comprising nucleotide sequences coding sugar metabolism and oxidative phosphorylation (SMP) proteins for enhancing production of functional heterologous polypeptides BASF AKTIENGESELLSCHAFT (DE) 2007-03-29 US disclosed
US-20070065914-A1 Expression vector comprising nucleotide sequences coding sugar metabolism and oxidative phosphorylation (SMP) proteins for enhancing production of functional heterologous polypeptides BASF AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed