SCHEMBL6569141

SCHEMBL6569141

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.54
LPAR1 Q92633 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
CETP P11597 3/20 0.41
SMPD2 O60906 2/20 0.40
SMPD1 P17405 1/20 0.40
S1PR4 O95977 6/20 0.40
S1PR1 P21453 6/20 0.40
S1PR5 Q9H228 6/20 0.40
S1PR3 Q99500 4/20 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
SCHEMBL6568794 0.91 RIPK1 (0.51) RIPK1CETPSMPD2SMPD1
SCHEMBL6568573 0.82 RIPK1 (0.55) RIPK1S1PR4S1PR1S1PR5S1PR3
SCHEMBL6568705 0.81 LPAR3 (0.58) LPAR1LPAR3SMPD2SMPD1
SCHEMBL6569383 0.81 LPAR3 (0.58) LPAR1LPAR3SMPD2SMPD1
SCHEMBL6569302 0.81 LPAR3 (0.58) LPAR1LPAR3SMPD2SMPD1
SCHEMBL6570288 0.81 LPAR3 (0.58) LPAR1LPAR3SMPD2SMPD1
SCHEMBL7618294 0.81 LPAR3 (0.58) LPAR1LPAR3SMPD2SMPD1
SCHEMBL6570354 0.81 LPAR3 (0.58) LPAR1LPAR3SMPD2SMPD1
SCHEMBL6569341 0.81 LPAR3 (0.58) LPAR1LPAR3SMPD2SMPD1
SCHEMBL6568701 0.80 LPAR3 (0.56) LPAR1LPAR3SMPD2SMPD1

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