SCHEMBL6571631

SCHEMBL6571631

CCCC(=O)NOP(=O)(O)OCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CETP P11597 3/20 0.41
HPGD P15428 1/20 0.41
HDAC3 O15379 1/20 0.40
TSHR P16473 1/20 0.40
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
SCHEMBL6570330 0.92 TDP1 (0.46) KDM4ELMNACETPHPGDHDAC3
SCHEMBL6568704 0.91 EPHX2 (0.48) CETPHPGDHDAC3
SCHEMBL6569306 0.90 EPHX2 (0.50) CETPHPGD
SCHEMBL6570358 0.90 EPHX2 (0.50) CETPHPGD
SCHEMBL6569347 0.90 EPHX2 (0.50) CETPHPGD
SCHEMBL6569386 0.90 EPHX2 (0.50) CETPHPGD
SCHEMBL6569223 0.90 EPHX2 (0.50) CETPHPGD
SCHEMBL6570112 0.89 TSHR (0.41) GAAKDM4ELMNACETPTSHR
SCHEMBL6569921 0.87 HDAC1 (0.51) MAPTLMNAHDAC3TSHRALOX5
SCHEMBL6569952 0.86 SMN1; SMN2 (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