SCHEMBL186848

SCHEMBL186848

O=C(O)Oc1cccc(O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 6/20 0.33
LMNA P02545 2/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPT P10636 3/20 0.32
ACHE P22303 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL377165 0.89 KDM4E (0.44) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL755699 0.79 TDP1 (0.47) KDM4ETDP1ALDH1A1LMNACA12
SCHEMBL1732930 0.78 L3MBTL1 (0.45) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL248107 0.78 HTR7 (0.42) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL2780205 0.78 ASIC3 (0.39) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL3647432 0.78 RAB9A (0.44) KDM4ETSHRKMT2AALDH1A1HDAC6
SCHEMBL7973413 0.78 CYP11B1 (0.42) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL6223869 0.76 KDM4E (0.44) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL8512039 0.76 ELANE (0.41) KDM4EKMT2AALDH1A1MAPK8HSD17B10
SCHEMBL18952270 0.75 PIM1 (0.36) KDM4ETDP1ALOX15TSHRACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed