SCHEMBL7322745

SCHEMBL7322745

O=C(O)c1ccc(OCC2CCCCC2)cc1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.53
PARP15 Q460N3 6/20 0.51
SIRT2 Q8IXJ6 1/20 0.46
PARP2 Q9UGN5 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
HPGD P15428 1/20 0.43
PDK2 Q15119 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
MAPK8 P45983 1/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL7317868 0.83 PARP10 (0.57) PARP10PARP15SIRT2MAOB
SCHEMBL29051135 0.81 MEN1 (0.48) HPGD
SCHEMBL7907804 0.81 PARP10 (0.54) PARP10PARP15MAOB
SCHEMBL10493530 0.80 LTB4R (0.49) MAOB
SCHEMBL4653952 0.79 PARP10 (0.60) PARP10PARP15SIRT2PARP2MAOA
SCHEMBL542829 0.79 LTB4R (0.60) MAOBHPGD
SCHEMBL12998986 0.76 PARP10 (0.55) PARP10PARP15SIRT2PARP2MAOA
SCHEMBL29053392 0.76 PARP10 (0.55) PARP10PARP15SIRT2PARP2MAOA
SCHEMBL12420676 0.75 NR1H4 (0.67) PARP10PARP15SIRT2HPGD
SCHEMBL12420668 0.75 NR1H4 (0.67) PARP10PARP15SIRT2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927035-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0927035-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-07-07 EP disclosed
US-5872138-A INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION IN A MAMMAL MERCK & CO., INC. (US) 1999-02-16 US disclosed
WO-1998010763-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-03-19 WO disclosed