SCHEMBL8297749

SCHEMBL8297749

O=C(Oc1cccc(OC(=O)c2ccccc2B(O)O)c1)c1ccccc1B(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALOX15 P16050 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ GAA P10253 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
SCHEMBL8297882 0.93 HPGD (0.46) MAPTKDM4ETDP1ALOX15HSD17B10
SCHEMBL30721723 0.89 HSD17B10 (0.59) MAPTKDM4ETDP1ALOX15HSD17B10
SCHEMBL8297850 0.84 KMT2A (0.43) MAPTKDM4ETDP1ALOX15HSD17B10
SCHEMBL5700024 0.81 PTK2B (0.59) MAPTALOX15HSD17B10HPGDCYP1A2
SCHEMBL4624103 0.80 KDM4E (0.50) MAPTKDM4ETDP1HSD17B10HPGD
SCHEMBL11663752 0.79 KMT2A (0.63) MAPTKDM4ETDP1ALOX15HSD17B10
SCHEMBL10782155 0.77 MAPT (0.58) MAPTKDM4ETDP1ALOX15HSD17B10
SCHEMBL29770076 0.77 HPGD (0.79) MAPTKDM4ETDP1ALOX15HSD17B10
SCHEMBL29402736 0.76 TSHR (0.59) MAPTKDM4EALOX15HSD17B10KMT2A
SCHEMBL129359 0.76 TSHR (0.59) MAPTKDM4EALOX15HSD17B10KMT2A

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-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO disclosed
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