SCHEMBL6569952

SCHEMBL6569952

CCOCCCCC(=O)NOP(=O)(O)OCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC3 O15379 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
USP2 O75604 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL6568704 0.90 EPHX2 (0.48) HDAC3
SCHEMBL6569347 0.88 EPHX2 (0.50)
SCHEMBL6570142 0.88 KDM4E (0.50) KDM4ELMNAHDAC1HDAC2HDAC3
SCHEMBL6569386 0.88 EPHX2 (0.50)
SCHEMBL6569306 0.88 EPHX2 (0.50)
SCHEMBL6569223 0.88 EPHX2 (0.50)
SCHEMBL6570358 0.88 EPHX2 (0.50)
SCHEMBL6570330 0.88 TDP1 (0.46) RAB9AKDM4ELMNAHDAC3
SCHEMBL6569921 0.88 HDAC1 (0.51) LMNAHDAC1HDAC2HDAC3HDAC8
SCHEMBL6571631 0.86 GAA (0.43) KDM4ELMNAHDAC3ALOX5

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