SCHEMBL6570142

SCHEMBL6570142

COCCCCCC(=O)NOP(=O)(O)OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 5/20 0.44
ALOX5 P09917 1/20 0.44
HDAC3 O15379 4/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
NCOR2 Q9Y618 2/20 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
SCHEMBL6569223 0.91 EPHX2 (0.50) MEN1KMT2AHPGD
SCHEMBL6570358 0.91 EPHX2 (0.50) MEN1KMT2AHPGD
SCHEMBL6569386 0.91 EPHX2 (0.50) MEN1KMT2AHPGD
SCHEMBL6569347 0.91 EPHX2 (0.50) MEN1KMT2AHPGD
SCHEMBL6569306 0.91 EPHX2 (0.50) MEN1KMT2AHPGD
SCHEMBL6569921 0.90 HDAC1 (0.51) LMNAHDAC1HDAC2ALOX5HDAC3
SCHEMBL6568704 0.89 EPHX2 (0.48) HDAC3MEN1KMT2AHPGD
SCHEMBL6569952 0.88 SMN1; SMN2 (0.43) KDM4ELMNAHDAC1HDAC2ALOX5
SCHEMBL6570330 0.88 TDP1 (0.46) KDM4ELMNAHDAC3MEN1KMT2A
SCHEMBL6571631 0.85 GAA (0.43) KDM4ELMNAALOX5HDAC3HPGD

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