SCHEMBL9952032

SCHEMBL9952032

CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1O)OC(=O)CCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.96
NR5A2 O00482 1/20 0.80
NR5A1 Q13285 1/20 0.80
AKT1 P31749 1/20 0.77
PLCG2 P16885 1/20 0.75
LPAR3 Q9UBY5 7/20 0.67
LPAR1 Q92633 4/20 0.67
ENPP2 Q13822 6/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
GPR55 Q9Y2T6 1/20 0.64
FABP3 P05413 1/20 0.59
LPAR2 Q9HBW0 2/20 0.58
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56

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
Phosphatidylinositol-Trisphosphate SCHEMBL29364087 1.00 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2
Phosphatidylinositol-Trisphosphate SCHEMBL8821826 1.00 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2
Phosphatidylinositol-Trisphosphate SCHEMBL29353503 1.00 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL30718328 0.98 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL29371399 0.98 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL23037461 0.98 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL29358750 0.98 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL8821828 0.98 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL29403958 0.98 SMPD1 (1.00) SMPD1NR5A2NR5A1AKT1PLCG2
SCHEMBL29406036 0.96 SMPD1 (0.96) SMPD1NR5A2NR5A1AKT1PLCG2

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-2654779-A1 LIPOSOMAL FORMULATION OF NONGLYCOSIDIC CERAMIDES AND USES THEREOF Ludwig Institute for Cancer Research, Ltd. (US) 2013-10-30 EP disclosed
WO-2012088414-A1 LIPOSOMAL FORMULATION OF NONGLYCOSIDIC CERAMIDES AND USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2012-06-28 WO disclosed