SCHEMBL6570204

SCHEMBL6570204

CCCC(=O)N[C@@H](COP(=O)(O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.46
LPAR3 Q9UBY5 4/20 0.46
PIN1 Q13526 1/20 0.44
RIPK1 Q13546 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PLA2G4A P47712 1/20 0.41

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
SCHEMBL6568481 0.92 LPAR3 (0.52) LPAR1LPAR3ALDH1A1PLA2G4A
SCHEMBL6568701 0.91 LPAR3 (0.56) LPAR1LPAR3ALDH1A1PLA2G4A
SCHEMBL6569383 0.90 LPAR3 (0.58) LPAR1LPAR3ALDH1A1PLA2G4A
SCHEMBL6568705 0.90 LPAR3 (0.58) LPAR1LPAR3ALDH1A1PLA2G4A
SCHEMBL6569302 0.90 LPAR3 (0.58) LPAR1LPAR3ALDH1A1PLA2G4A
SCHEMBL7618294 0.90 LPAR3 (0.58) LPAR1LPAR3ALDH1A1PLA2G4A
SCHEMBL6570288 0.90 LPAR3 (0.58) LPAR1LPAR3ALDH1A1PLA2G4A
SCHEMBL6569341 0.90 LPAR3 (0.58) LPAR1LPAR3ALDH1A1PLA2G4A
SCHEMBL6570354 0.90 LPAR3 (0.58) LPAR1LPAR3ALDH1A1PLA2G4A
SCHEMBL6568568 0.89 ALDH1A1 (0.44) RIPK1MEN1KMT2ASMN1; SMN2ALDH1A1

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
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP claimed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US claimed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP claimed