SCHEMBL8556021

SCHEMBL8556021

CC(C)(C)OC(=O)COc1cccc(C(=O)C(N)C(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
NR1H2 P55055 1/20 0.39
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MKNK1 Q9BUB5 4/20 0.37
P2RX3 P56373 1/20 0.37
GCK P35557 1/20 0.35
OPRK1 P41145 1/20 0.35
GRAMD1A Q96CP6 1/20 0.34
SCN9A Q15858 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL8558878 0.91 TPSAB1 (0.46) F2TPSAB1TPSD1TPSG1BRD4
SCHEMBL8556840 0.87 ESR2 (0.40) F2TPSAB1TPSD1TPSG1BRD4
SCHEMBL8557311 0.84 ADORA1 (0.38) F2TPSAB1TPSD1TPSG1BRD4
SCHEMBL8556028 0.83 PRMT5 (0.43) F2TPSAB1TPSD1TPSG1BRD4
SCHEMBL8558315 0.81 NR1H2 (0.35) F2TPSAB1TPSD1TPSG1BRD4
SCHEMBL8558884 0.75 ITGB3 (0.53) F2TPSAB1TPSD1TPSG1NR1H2
SCHEMBL8555620 0.73 ITGB3 (0.55) F2TPSAB1TPSD1TPSG1BRD4
SCHEMBL8557675 0.72 PRMT5 (0.45) F2TPSAB1TPSD1TPSG1PRMT5
SCHEMBL6421478 0.72 NR1H2 (0.54) F2TPSAB1TPSD1TPSG1BRD4
SCHEMBL8558892 0.72 NR1H2 (0.51) F2TPSAB1TPSD1TPSG1BRD4

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