SCHEMBL6569232

SCHEMBL6569232

CC(C)(C)OC(=O)NOP(=O)(O)OCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CTSK P43235 3/20 0.42
CTSS P25774 3/20 0.42
IDO1 P14902 1/20 0.42
AKT1 P31749 2/20 0.41
S1PR4 O95977 3/20 0.41
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR5 Q9H228 3/20 0.41
SIGMAR1 Q99720 2/20 0.40
ANPEP P15144 2/20 0.40
ATM Q13315 1/20 0.40
ERAP2 Q6P179 1/20 0.40
TSHR P16473 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ERAP1 Q9NZ08 1/20 0.38

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
SCHEMBL6570293 0.85 POLB (0.48) CA12CA1S1PR4S1PR1S1PR3
SCHEMBL6568562 0.83 HDAC3 (0.44) CTSKANPEPERAP2TSHRERAP1
SCHEMBL6568415 0.82 TSHR (0.44) CA12CA1S1PR4S1PR1S1PR3
SCHEMBL6570112 0.80 TSHR (0.41) CA12CA1S1PR4S1PR1S1PR3
SCHEMBL6568406 0.80 NPC1 (0.50) CA12CA1TSHR
SCHEMBL28048506 0.79 CA12 (0.47) CA12CA1CA7CA14CTSK
SCHEMBL6568523 0.78 CETP (0.48) CTSKTSHR
SCHEMBL6571631 0.78 GAA (0.43) TSHR
SCHEMBL6570330 0.76 TDP1 (0.46)
SCHEMBL6569146 0.76 CETP (0.45) S1PR4S1PR1S1PR3S1PR5

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