SCHEMBL8833705

SCHEMBL8833705

COC(=O)c1ccc(C(C)C(=O)C(C)c2ccc(C(=O)OC)c(OC)c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.48
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL15975836 0.87 HPGD (0.51) HIF1AHPGDXBP1MAPTKDM4E
SCHEMBL17176838 0.85 KDM4E (0.45) HIF1AHPGDXBP1MAPTKDM4E
SCHEMBL27358606 0.84 KDM4E (0.47) HIF1AHPGDXBP1MAPTKDM4E
SCHEMBL27275389 0.84 KDM4E (0.47) HIF1AHPGDXBP1MAPTKDM4E
SCHEMBL30753250 0.84 KDM4E (0.47) HIF1AHPGDXBP1MAPTKDM4E
Hydrochloric Acid SCHEMBL30823549 0.83 KDM4E (0.46) HIF1AHPGDXBP1MAPTKDM4E
Hydrochloric Acid SCHEMBL12500081 0.83 KDM4E (0.46) HIF1AHPGDXBP1MAPTKDM4E
SCHEMBL5006172 0.82 KDM4E (0.45) HIF1AHPGDXBP1MAPTKDM4E
SCHEMBL30461990 0.82 KDM4E (0.45) HIF1AHPGDXBP1MAPTKDM4E
SCHEMBL8833720 0.81 ALDH1A1 (0.42) HIF1AHPGDXBP1MAPTKDM4E

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
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed