SCHEMBL4728034

SCHEMBL4728034

CCOC(=O)c1ccc2[nH]c3ccc(C(=O)O)cc3c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.76
ALDH1A1 P00352 8/20 0.76
MAPT P10636 5/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
HCRTR1 O43613 2/20 0.76
RAB9A P51151 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
HSD17B10 Q99714 6/20 0.66
HPGD P15428 5/20 0.66
MAPK1 P28482 3/20 0.66
POLB P06746 2/20 0.66
HRH3 Q9Y5N1 1/20 0.62
TUBB4A P04350 1/20 0.61
TUBB P07437 1/20 0.61
TUBA3C P0DPH7 1/20 0.61
TUBA1B P68363 1/20 0.61
TUBA4A P68366 1/20 0.61
TUBB4B P68371 1/20 0.61
TUBB3 Q13509 1/20 0.61

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
SCHEMBL68639 0.94 KDM4E (0.85) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL70604 0.88 ALDH1A1 (0.81) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4726935 0.87 KDM4E (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL12642105 0.86 KDM4E (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7979591 0.85 KDM4E (0.72) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10375171 0.84 GABRA1 (0.72) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL541732 0.84 ALDH1A1 (0.71) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6983821 0.84 HCRTR1 (0.76) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3187981 0.82 HCRTR1 (0.70) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15995185 0.82 KDM4E (0.71) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed