SCHEMBL7947263

SCHEMBL7947263

O=C(OCc1ccccc1)c1ccc2cc(OCc3ccccc3)c(C(=O)OCc3ccccc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
MAOB P27338 2/20 0.47
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
PARP10 Q53GL7 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL630698 0.90 MEN1 (0.57) TDP1KMT2AALDH1A1MAPTNPC1
SCHEMBL13278206 0.89 ALDH1A1 (0.55) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL7939669 0.86 LMNA (0.53) TDP1LMNAKMT2AALDH1A1MAPT
SCHEMBL29375287 0.86 PTGES (0.49) TDP1KMT2AALDH1A1MAOBMEN1
SCHEMBL22412359 0.86 PTGES (0.49) TDP1KMT2AALDH1A1MAOBMEN1
SCHEMBL29376294 0.86 HDAC8 (0.52) TDP1KMT2AALDH1A1MAOBMEN1
SCHEMBL2996551 0.86 HDAC8 (0.52) TDP1KMT2AALDH1A1MAOBMEN1
SCHEMBL4254032 0.85 ALOX5 (0.62) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL3235219 0.85 ALOX5 (0.61) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL1647432 0.85 TDP1 (0.58) TDP1LMNAKMT2ASLC6A2SLC6A3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252104-B1 3,6-DISUBSTITUTED-2-OXYNAPHTHALENE DERIVATIVES; RAW MATERIALS FOR SYNTHESIS OF SUCH MATERIALS AS DYES, PIGMENTS, PHOTOSENSITIVE MATERIALS KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2001-06-26 US disclosed
EP-0765858-B1 NAPHTHOL DERIVATIVES AND PROCESS FOR PRODUCING THE SAME UENO SEIYAKU OYO KENKYUJO KK (JP) 1999-12-22 EP disclosed
US-5847233-A Naphthol derivatives and process for producing the same KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1998-12-08 US disclosed
US-5786523-A Naphthol derivatives and process for producing the same KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1998-07-28 US disclosed
EP-0765858-A1 NAPHTHOL DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1997-04-02 EP disclosed