SCHEMBL6571685

SCHEMBL6571685

CCCCCCOC(=O)NOP(=O)(OC)OCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CETP P11597 4/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.41
NAAA Q02083 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL6568392 0.88 EPHX2 (0.46)
SCHEMBL6568523 0.86 CETP (0.48) CTSKNPC1RAB9ASMN1; SMN2CETP
SCHEMBL6570149 0.85 EPHX2 (0.48) CETPLMNAALDH1A1
SCHEMBL6569537 0.85 EPHX2 (0.48) CETPLMNAALDH1A1
SCHEMBL6568697 0.85 EPHX2 (0.48) CETPLMNAALDH1A1
SCHEMBL6570239 0.85 P2RY10 (0.44)
SCHEMBL6571999 0.82 CETP (0.41) CETP
SCHEMBL17817019 0.82 CETP (0.49) CETP
SCHEMBL6568539 0.80 L3MBTL1 (0.35) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL6571795 0.76 EPHX2 (0.47) CETPALDH1A1

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