SCHEMBL7983732

SCHEMBL7983732

OCCc1ccccc1NCCOc1cc2[nH]c3c(c2cc1O)CCCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.39
CASP1 P29466 1/20 0.39
MAPT P10636 15/20 0.39
LMNA P02545 9/20 0.37
KMT2A Q03164 7/20 0.37
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALOX12 P18054 3/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 5/20 0.36
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7980782 0.90 MAPT (0.38) TP53CASP1MAPTLMNAKMT2A
SCHEMBL7979338 0.86 PARP14 (0.43) TP53CASP1MAPTLMNAKMT2A
SCHEMBL7977146 0.85 TP53 (0.38) TP53CASP1MAPTLMNAKMT2A
SCHEMBL7983735 0.83 MAPT (0.42) TP53CASP1MAPTLMNAKMT2A
SCHEMBL7068692 0.82 ADRB2 (0.39) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL7983729 0.75 ADRB2 (0.44) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL7980783 0.73 MAPT (0.42) TP53CASP1MAPTLMNAKMT2A
SCHEMBL7781300 0.73 NR1I2 (0.33) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL7983970 0.72 EGFR (0.49)
SCHEMBL7070291 0.71 ADRB2 (0.38) MAPTKMT2AALDH1A1MEN1SMN1; SMN2

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
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed