SCHEMBL8443259

SCHEMBL8443259

O=Cc1sccc1-c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.39
DHODH Q02127 2/20 0.37
ALDH1A1 P00352 3/20 0.36
UNG P13051 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 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
SCHEMBL28115396 0.77 PTGS1 (0.44) DHODHDAOKMOBCAT2
SCHEMBL2461016 0.74 BCAT2 (0.47) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL14397797 0.74 GPR35 (0.40) ALDH1A1KDM4EL3MBTL1MEN1NPC1
SCHEMBL9696347 0.73 PRKDC (0.41) ALDH1A1L3MBTL1MEN1NPC1RAB9A
SCHEMBL8443923 0.72 DHODH (0.36) DHODHDAOKMOBCAT2
SCHEMBL8444035 0.72 ERN1 (0.56) ERN1ALDH1A1MAPTCA12CA1
SCHEMBL1829790 0.72 PTGS2 (0.45) ERN1ALDH1A1POLBL3MBTL1MEN1
SCHEMBL14397460 0.71 MEN1 (0.38) ALDH1A1KDM4ETDP1POLBMEN1
SCHEMBL14398058 0.70 KDM4E (0.46) ERN1ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL16399919 0.70 CNR1 (0.39) L3MBTL1MEN1KMT2APRKDC

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