SCHEMBL8558878

SCHEMBL8558878

CC(C)(C)OC(=O)COc1ccc(C(=O)C(N)C(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.46
TPSD1 Q9BZJ3 2/20 0.46
TPSG1 Q9NRR2 2/20 0.46
F2 P00734 1/20 0.46
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NR1H2 P55055 1/20 0.41
ESR2 Q92731 1/20 0.40
GRAMD1A Q96CP6 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
PRMT5 O14744 3/20 0.37
WDR77 Q9BQA1 3/20 0.37
ADORA1 P30542 2/20 0.36
GCK P35557 2/20 0.35
PRKCI P41743 1/20 0.35
P2RX3 P56373 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8556021 0.91 F2 (0.41) TPSAB1TPSD1TPSG1F2MAPT
SCHEMBL8556840 0.89 ESR2 (0.40) TPSAB1TPSD1TPSG1F2MAPT
SCHEMBL8557311 0.86 ADORA1 (0.38) TPSAB1TPSD1TPSG1F2MAPT
SCHEMBL8558315 0.83 NR1H2 (0.35) TPSAB1TPSD1TPSG1F2MAPT
SCHEMBL8558884 0.82 ITGB3 (0.53) TPSAB1TPSD1TPSG1F2MAPT
SCHEMBL8558433 0.77 F2 (0.41) TPSAB1TPSD1TPSG1F2MAPT
SCHEMBL8555620 0.77 ITGB3 (0.55) TPSAB1TPSD1TPSG1F2MAPT
SCHEMBL8455279 0.76 ITGB3 (0.60) TPSAB1TPSD1TPSG1F2MAPT
SCHEMBL8557675 0.76 PRMT5 (0.45) TPSAB1TPSD1TPSG1F2HDAC6
SCHEMBL8556028 0.76 PRMT5 (0.43) TPSAB1TPSD1TPSG1F2HDAC6

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