SCHEMBL6568614

SCHEMBL6568614

COc1cccc(C(COP(=O)(O)O)NC(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.52
MTNR1B P49286 10/20 0.52
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
CHEK1 O14757 1/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45
PRKCG P05129 1/20 0.45
CDK1 P06493 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL6569202 0.90 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1L3MBTL1ROCK2
SCHEMBL14335169 0.84 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1L3MBTL1ROCK2
SCHEMBL6568413 0.84 PIN1 (0.48) MTNR1AMTNR1BALDH1A1L3MBTL1
SCHEMBL6569906 0.83 LPAR3 (0.56) MTNR1AMTNR1B
SCHEMBL6570351 0.83 LPAR3 (0.60)
SCHEMBL6569349 0.82 LPAR3 (0.61)
SCHEMBL6569585 0.82 LPAR3 (0.61)
SCHEMBL6569080 0.82 LPAR3 (0.61)
SCHEMBL6570500 0.82 LPAR3 (0.61)
SCHEMBL29676292 0.81 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1L3MBTL1

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