SCHEMBL7873539

SCHEMBL7873539

CC=C(C)COC1=Cc2ccc3oc(=O)cc(CCC)c3c2OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.39
▸ KDM4E B2RXH2 11/20 0.39
▸ HPGD P15428 7/20 0.39
▸ HSD17B10 Q99714 7/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 6/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HSD17B3 P37058 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33

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
SCHEMBL7877695 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL7873630 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL7873629 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL7170109 0.60 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL3775925 0.59 ALDH1A1 (0.83) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL31152138 0.59 ALDH1A1 (0.83) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL13261902 0.59 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL7249235 0.58 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL7871686 0.58 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL10144062 0.58 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10ALOX15

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-6313320-B1 DESULFONATION, DEBLOCKING, DEPROTECTING; VIRICIDES CHIROTECH TECHNOLOGY, INC. (GB) 2001-11-06 — — US disclosed
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