SCHEMBL6568519

SCHEMBL6568519

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.52
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44
FAAH O00519 1/20 0.44
GPR88 Q9GZN0 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6571530 0.91 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAFAAH
SCHEMBL6568557 0.85 PIN1 (0.44) SMN1; SMN2LMNATSHRALDH1A1
SCHEMBL27645590 0.84 FAAH (0.43) NPC1RAB9ASMN1; SMN2LMNAFAAH
SCHEMBL6568705 0.83 LPAR3 (0.58) LPAR1LPAR3ALDH1A1
SCHEMBL7618294 0.83 LPAR3 (0.58) LPAR1LPAR3ALDH1A1
SCHEMBL6570288 0.83 LPAR3 (0.58) LPAR1LPAR3ALDH1A1
SCHEMBL6570354 0.83 LPAR3 (0.58) LPAR1LPAR3ALDH1A1
SCHEMBL6569302 0.83 LPAR3 (0.58) LPAR1LPAR3ALDH1A1
SCHEMBL6569341 0.83 LPAR3 (0.58) LPAR1LPAR3ALDH1A1
SCHEMBL6569383 0.83 LPAR3 (0.58) LPAR1LPAR3ALDH1A1

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