SCHEMBL8557680

SCHEMBL8557680

O=C(O)COc1ccc(C(=O)CCl)cc1OCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ITGB3 P05106 6/20 0.52
ITGA2B P08514 6/20 0.52
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C19 P33261 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
GSK3B P49841 1/20 0.44
HIF1A Q16665 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL8556739 0.83 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL7365310 0.83 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL9031510 0.83 MEN1 (0.51) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL8554466 0.81 MEN1 (0.62) MEN1KMT2AITGB3ITGA2BTDP1
Hydrochloric Acid SCHEMBL7796062 0.80 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL4374620 0.80 HPGD (0.64) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL8637573 0.79 KMT2A (0.60) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL7503071 0.79 MEN1 (0.46) MEN1KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL8314675 0.77 ALOX15 (0.57) MEN1KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL16090170 0.77 PTGDR2 (0.60) MEN1KMT2ATDP1MAPTPOLB

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-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed