SCHEMBL3085227

SCHEMBL3085227

CCOC(=O)c1cc(=O)oc2cc(O)c(Cl)cc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.59
▸ NPC1 O15118 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ KDM4E B2RXH2 7/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ GLA P06280 1/20 0.43

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
SCHEMBL13231988 0.89 MCL1 (0.55) MCL1NPC1MEN1KMT2AKDM4E
SCHEMBL13232070 0.83 DPP4 (0.49) MCL1NPC1MEN1KMT2AERAP1
SCHEMBL13180170 0.80 MCL1 (0.57) MCL1MEN1KMT2AERAP1TDP1
SCHEMBL3640665 0.78 MAPT (0.53) MCL1NPC1MEN1KMT2AKDM4E
SCHEMBL2812687 0.78 AKR1B1 (0.64) MCL1MEN1KMT2AERAP1KDM4E
SCHEMBL1406180 0.76 MAOB (0.64) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16985170 0.76 MCL1 (0.49) MCL1MEN1KMT2AERAP1TDP1
SCHEMBL28047037 0.76 MAOB (0.49) KMT2AKDM4EBAZ2BBAZ2AMIF
SCHEMBL31357189 0.75 MCL1 (1.00) MCL1MEN1KMT2AERAP1TDP1
SCHEMBL2552748 0.75 MCL1 (1.00) MCL1MEN1KMT2AERAP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9677115-B2 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2017-06-13 — — US disclosed
US-20130252268-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2013-09-26 — — US disclosed
US-8460862-B2 Enzyme substrates for visualizing acidic organelles Marker Gene Technologies (US) 2013-06-11 — — US disclosed
US-20100233744-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. 2010-09-16 — — US disclosed
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