SCHEMBL8557342

SCHEMBL8557342

CC(=O)N(CCc1ccc(OCC(=O)O)c(OCC(=O)O)c1)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.40
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ESR2 Q92731 1/20 0.36
NR1H2 P55055 1/20 0.36
LIPG Q9Y5X9 1/20 0.34
MEN1 O00255 1/20 0.33
PLA2G1B P04054 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ADORA1 P30542 1/20 0.33
PTGER4 P35408 1/20 0.32
KDM4E B2RXH2 3/20 0.32
NR1D1 P20393 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL8554071 0.83 P2RX3 (0.43) P2RX3BRD4CREBBPESR2NR1H2
SCHEMBL8833336 0.79 ITGB3 (0.45) P2RX3ESR2KMT2AMAPT
Trifluoroacetic Acid SCHEMBL8556868 0.77 ITGB3 (0.46) KDM4EALDH1A1
SCHEMBL7834582 0.73 ITGB3 (0.47) BRD4CREBBPESR2NR1H2MEN1
SCHEMBL5548036 0.73 ESR2 (0.48) P2RX3BRD4CREBBPESR2NR1H2
SCHEMBL7992597 0.73 ESR2 (0.50) P2RX3BRD4CREBBPESR2NR1H2
SCHEMBL8833267 0.72 ITGB3 (0.48) BRD4CREBBPESR2NR1H2MEN1
SCHEMBL8553064 0.71 ITGB3 (0.62)
SCHEMBL8314579 0.71 NR1H2 (0.38) P2RX3BRD4CREBBPESR2NR1H2
SCHEMBL8556789 0.71 ESR2 (0.50) P2RX3BRD4CREBBPESR2NR1H2

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 3 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-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed