SCHEMBL6569921

SCHEMBL6569921

O=C(CCCCc1ccccc1)NOP(=O)(O)OCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.51
HDAC2 Q92769 5/20 0.51
ALOX5 P09917 1/20 0.51
HDAC3 O15379 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
LPAR1 Q92633 3/20 0.44
EPHX1 P07099 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44

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 0.91 EPHX2 (0.48) HDAC3LPAR1
SCHEMBL6569386 0.90 EPHX2 (0.50) LPAR1
SCHEMBL6570358 0.90 EPHX2 (0.50) LPAR1
SCHEMBL6569347 0.90 EPHX2 (0.50) LPAR1
SCHEMBL6569306 0.90 EPHX2 (0.50) LPAR1
SCHEMBL6569223 0.90 EPHX2 (0.50) LPAR1
SCHEMBL6570142 0.90 KDM4E (0.50) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL6570330 0.90 TDP1 (0.46) HDAC3LMNA
SCHEMBL6569952 0.88 SMN1; SMN2 (0.43) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL6571631 0.87 GAA (0.43) ALOX5HDAC3MAPTLMNATSHR

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