SCHEMBL7981111

SCHEMBL7981111

CCOC(=O)CC(C(=O)N1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MGLL Q99685 4/20 0.43
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GPR174 Q9BXC1 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
SCHEMBL7978452 0.81 VCAM1 (0.46) KDM4EMAPTMGLLMAPK1ALDH1A1
SCHEMBL7977861 0.77 GAA (0.47) KDM4EMAPTALDH1A1L3MBTL1GAA
SCHEMBL7967929 0.76 LMNA (0.43) KDM4EMAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL5205743 0.72 PKM (0.45) MAPTHPGDMAPK1ALDH1A1L3MBTL1
SCHEMBL18795102 0.72 ALDH1A1 (0.44) MAPTHPGDMAPK1ALDH1A1L3MBTL1
SCHEMBL4093917 0.70 VCAM1 (0.45) KDM4EMAPTHPGDALDH1A1L3MBTL1
SCHEMBL10651912 0.69 MAPT (0.43) MAPTHPGDMAPK1ALDH1A1L3MBTL1
SCHEMBL7061410 0.69 ALDH1A1 (0.42) MAPTHPGDMAPK1ALDH1A1L3MBTL1
SCHEMBL7868341 0.68 MAPT (0.40) MAPTHPGDALDH1A1L3MBTL1TDP1
SCHEMBL31245529 0.68 HPGD (0.53) MAPTHPGDALDH1A1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed