SCHEMBL8440378

SCHEMBL8440378

COC(=O)c1cc(C(=O)OC)cc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HPGD P15428 1/20 0.60
XBP1 P17861 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48
XDH P47989 2/20 0.48
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL8444679 0.93 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL21553807 0.89 CA12 (0.63) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL30931763 0.89 CA12 (0.63) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL67540 0.87 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL588343 0.87 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1949259 0.87 CA1 (0.62) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8442934 0.85 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL23226759 0.85 RXRA (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL27462605 0.85 SLC6A3 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8444016 0.84 RXRA (0.65) MAPTCA12CA1CA2CA9

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
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed