SCHEMBL8556739

SCHEMBL8556739

NCC(=O)c1ccc(OCC(=O)O)c(OCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ITGB3 P05106 7/20 0.56
ITGA2B P08514 7/20 0.56
TDP1 Q9NUW8 1/20 0.46
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
PTGDR2 Q9Y5Y4 3/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL8556612 0.91 MEN1 (0.53) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL8556804 0.91 MEN1 (0.76) MEN1KMT2AITGB3ITGA2BTDP1
Hydrochloric Acid SCHEMBL8832741 0.87 KMT2A (0.55) MEN1KMT2AITGB3ITGA2BGLA
Hydrochloric Acid SCHEMBL8558538 0.86 MEN1 (0.50) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL7365310 0.83 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL8557680 0.83 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL8554466 0.81 MEN1 (0.62) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL2012694 0.80 ALDH1A1 (0.50) MEN1KMT2AITGB3ITGA2BPOLB
Hydrochloric Acid SCHEMBL7796062 0.80 MEN1 (0.61) MEN1KMT2AITGB3ITGA2BTDP1
SCHEMBL8637573 0.79 KMT2A (0.60) MEN1KMT2AITGB3ITGA2BTDP1

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
JP-8081427-A None JP disclosed
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
JP-H0881427-A ((4-SUBSTITUTED ACETYL-ORTHO--PHENYLENE)DIOXY) DIACETIC ACID DERIVATIVE AND ITS PRODUCTION MEIJI SEIKA KAISHA LTD 1996-03-26 JP disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed