SCHEMBL6569366

SCHEMBL6569366

CCCCCOCC(=O)NOP(=O)(O)OCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.44
HPGD P15428 1/20 0.41
P2RY10 O00398 5/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR34 Q9UPC5 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 0.87 EPHX2 (0.48) CETPHPGDMEN1KMT2A
SCHEMBL6569306 0.86 EPHX2 (0.50) CETPHPGDMEN1KMT2A
SCHEMBL6570358 0.86 EPHX2 (0.50) CETPHPGDMEN1KMT2A
SCHEMBL6569223 0.86 EPHX2 (0.50) CETPHPGDMEN1KMT2A
SCHEMBL6569386 0.86 EPHX2 (0.50) CETPHPGDMEN1KMT2A
SCHEMBL6569347 0.86 EPHX2 (0.50) CETPHPGDMEN1KMT2A
SCHEMBL6570330 0.86 TDP1 (0.46) CETPHPGDMEN1NPC1RAB9A
SCHEMBL6569952 0.84 SMN1; SMN2 (0.43) RAB9A
SCHEMBL6571631 0.83 GAA (0.43) CETPHPGDTSHR
SCHEMBL6570112 0.83 TSHR (0.41) CETPTSHRNPC1RAB9AKMT2A

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