SCHEMBL9030587

SCHEMBL9030587

O=C(O)COc1ccc(C(=O)CN2CCN(C3CCNCC3)CC2=O)cc1OCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.50
ITGA2B P08514 10/20 0.50
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4B Q07343 6/20 0.35
F10 P00742 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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 SCHEMBL9029743 0.95 ITGB3 (0.48) ITGB3ITGA2BMEN1KMT2APDE4B
SCHEMBL8314973 0.87 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7682728 0.86 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL9031413 0.85 ITGB3 (0.54) ITGB3ITGA2BMEN1KMT2AF10
SCHEMBL9030544 0.85 PDE4D (0.44) ITGB3ITGA2BMEN1KMT2APDE4B
SCHEMBL8316433 0.84 ITGB3 (0.37) ITGB3ITGA2BPDE4BALDH1A1KDM4E
SCHEMBL8316420 0.84 TBXAS1 (0.45) ITGB3ITGA2BF10ALDH1A1TDP1
SCHEMBL8319204 0.82 ITGB3 (0.35) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8317333 0.81 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL27445769 0.80 TRPV6 (0.41) ALDH1A1KDM4EMAPTHSD17B10POLB

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
EP-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP claimed
EP-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP disclosed