SCHEMBL7407172

SCHEMBL7407172

COC(=O)COc1ccc(C(=O)CBr)cc1OCC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 1/20 0.46
GSK3B P49841 2/20 0.46
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HMGCR P04035 1/20 0.43
APP P05067 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
CYP1A2 P05177 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HDAC3 O15379 1/20 0.42
TUBB4A P04350 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
SCHEMBL7327601 0.94 KMT2A (0.58) KMT2AMEN1GSK3BMAPTTSHR
SCHEMBL7335355 0.88 HTT (0.51) LMNAGSK3BMAPTTSHRPOLB
SCHEMBL7358969 0.86 KMT2A (0.67) KMT2AMEN1LMNAMAPTTSHR
SCHEMBL2009931 0.85 ALDH1A1 (0.50) KMT2AMEN1GSK3BTSHRALDH1A1
Bromide SCHEMBL5787146 0.84 ALDH1A1 (0.49) KMT2AMEN1GSK3BTSHRALDH1A1
SCHEMBL6812575 0.83 NPSR1 (0.49) KMT2AMEN1LMNAMAPTTSHR
SCHEMBL7365310 0.83 MEN1 (0.61) KMT2AMEN1GSK3BPOLBTDP1
SCHEMBL7361563 0.83 KMT2A (0.65) KMT2AMEN1LMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL7358912 0.82 KMT2A (0.51) KMT2AMEN1LMNAMAPTTSHR
SCHEMBL7462216 0.82 ALDH1A1 (0.60) KMT2AMEN1LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed