SCHEMBL7046466

SCHEMBL7046466

CCCCCCCCCCCCN1C[C@@H](OP(=O)(O)O)C(OP(=O)(O)O)[C@H](OP(=O)(O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.47
SMPD1 P17405 5/20 0.46
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 2/20 0.46
S1PR5 Q9H228 2/20 0.46
S1PR4 O95977 1/20 0.46
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GBA1 P04062 1/20 0.41
SGPL1 O95470 4/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40

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
SCHEMBL7049028 0.82 INPP5A (0.41) SMPD1
SCHEMBL7047341 0.78 INPP5A (0.43) SMPD1
SCHEMBL7047326 0.74 INPP5A (0.48) SMPD1
SCHEMBL7047385 0.70 INPP5A (0.42) SMPD1
Phytic Acid SCHEMBL11523271 0.69 LPAR3 (0.47) SMPD1LPAR1LPAR3
Phytic Acid SCHEMBL11526614 0.69 LPAR3 (0.47) SMPD1LPAR1LPAR3
SCHEMBL3085645 0.69 PDPK1 (0.50) SIGMAR1GBA1
SCHEMBL3081758 0.68 LPAR3 (0.55) SMPD1GBA1LPAR1LPAR3
SCHEMBL3086058 0.68 LPAR3 (0.55) SMPD1GBA1LPAR1LPAR3
SCHEMBL17350929 0.68 GUSB (0.70) GUSBEBPSIGMAR1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023301-B1 A HETEROCYCLIC CHEMICAL COMPOUND BIONERIS AB (SE) 2003-04-09 EP disclosed
US-6046334-A Heterocyclic chemical compound PERSTORP AB (SE) 2000-04-04 US disclosed