SCHEMBL7751503

SCHEMBL7751503

O=C(c1ccccc1)c1ccccc1NCCO

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
GLA P06280 1/20 0.61
ALDH1A1 P00352 8/20 0.59
KMT2A Q03164 3/20 0.57
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
AGTR1 P30556 1/20 0.50
RAB9A P51151 1/20 0.50
AKR1C3 P42330 1/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 1/20 0.43
BDKRB1 P46663 1/20 0.42

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
SCHEMBL10785042 0.87 KDM4E (0.51) KDM4EGLAALDH1A1KMT2AHPGD
SCHEMBL8585150 0.85 KMT2A (0.59) KDM4EGLAALDH1A1KMT2AHPGD
SCHEMBL9279236 0.84 ALDH1A1 (0.71) KDM4EGLAALDH1A1KMT2AHPGD
SCHEMBL9279131 0.82 KMT2A (0.56) KDM4EALDH1A1KMT2AHPGDHSD17B10
SCHEMBL10849986 0.82 KMT2A (0.52) KDM4EGLAALDH1A1KMT2AHPGD
SCHEMBL28326146 0.81 NPC1 (0.54) KDM4EALDH1A1KMT2AHPGDHSD17B10
SCHEMBL2211478 0.81 KMT2A (0.55) KDM4EALDH1A1KMT2AHPGDHSD17B10
SCHEMBL1532856 0.81 KMT2A (0.58) KDM4EALDH1A1KMT2AHPGDHSD17B10
SCHEMBL698881 0.81 AGTR1 (0.60) KDM4EALDH1A1KMT2AHPGDHSD17B10
Hydrochloric Acid SCHEMBL10847603 0.81 KMT2A (0.51) KDM4EGLAALDH1A1KMT2AHPGD

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
EP-1140874-A1 STEREOSELECTIVE SYNTHESIS OF OXAZOLINE DERIVATIVE DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 2001-10-10 EP disclosed
WO-2001030770-A1 STEREOSELECTIVE SYNTHESIS OF OXAZOLINE DERIVATIVE DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 2001-05-03 WO disclosed
US-6143900-A REDUCING AND CYCLIZING BENZOYLAMINO DERIVATIVE IN PRESENCE OF PALLADIUM CATALYST BY SEPARATING LEAVING GROUP TO FORM AN INTERMEDIATE, OXIDIZING THE INTERMEDIATE IN PRESENCE OF OXIDIZER WITH MIXED SOLVENT AND RUTHENIUM CATALYST DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 2000-11-07 US disclosed