SCHEMBL8436830

SCHEMBL8436830

O=C(NCc1ccc2c(c1)OCO2)c1cc(Br)ccc1NC(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
HSP90AA1 P07900 1/20 0.52
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CCR3 P51677 1/20 0.46
NAMPT P43490 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL8300888 0.90 POLB (0.64) GAAPOLBLMNAL3MBTL1KMT2A
SCHEMBL8301263 0.88 POLB (0.50) GAAPOLBHSP90AA1LMNAL3MBTL1
SCHEMBL8292747 0.87 HSP90AA1 (0.55) HSP90AA1LMNAL3MBTL1KMT2AALDH1A1
SCHEMBL8299249 0.80 POLB (0.61) GAAPOLBLMNAL3MBTL1KMT2A
SCHEMBL8414604 0.80 LMNA (0.46) GAAPOLBLMNA
SCHEMBL8297193 0.78 POLB (0.58) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL8292069 0.77 HSP90AA1 (0.52) GAAHSP90AA1LMNAL3MBTL1KMT2A
SCHEMBL8301388 0.77 POLB (0.48) GAAPOLBLMNAALDH1A1KDM4E
SCHEMBL8297238 0.76 POLB (0.53) GAAPOLBLMNAL3MBTL1KMT2A
SCHEMBL8301379 0.76 HSD17B10 (0.69) POLBHSP90AA1LMNANAMPTKMT2A

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-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed