SCHEMBL9574658

SCHEMBL9574658

O=C(Oc1ccccc1)c1ccccc1OCc1ccc(COc2ccccc2C(=O)Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.58
PARP1 P09874 1/20 0.55
MAPT P10636 3/20 0.54
SGMS2 Q8NHU3 2/20 0.54
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
LMNA P02545 2/20 0.52
PTGS2 P35354 1/20 0.52
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL11153592 0.86 KDM4E (0.62) HSD17B10ALDH1A1KMT2AHTTPARP1
SCHEMBL5689805 0.85 HTT (0.57) HSD17B10ALDH1A1KMT2ATSHRHTT
SCHEMBL4384585 0.83 MAPT (0.56) HSD17B10ALDH1A1KMT2ATSHRMAPT
SCHEMBL7761819 0.82 KMT2A (0.58) ALDH1A1KMT2AHTTMAPTLMNA
SCHEMBL538561 0.82 ESR1 (0.63) HSD17B10ALDH1A1KMT2ATSHRMAPT
SCHEMBL9574717 0.82 HTT (0.73) ALDH1A1KMT2ATSHRHTTPARP1
SCHEMBL11322333 0.82 ALOX15 (0.56) HSD17B10ALDH1A1KMT2ATSHRHTT
Bicarbonate SCHEMBL29983911 0.81 ESR1 (0.61) HSD17B10ALDH1A1KMT2ATSHRMAPT
SCHEMBL6284553 0.81 ALDH1A1 (0.57) HSD17B10ALDH1A1KMT2ATSHRMAPT
SCHEMBL4415350 0.80 HTT (0.75) ALDH1A1KMT2ATSHRHTTPARP1

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
EP-0251795-B1 NEW COMPOUNDS AND THEIR APPLICATION Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1993-01-20 EP disclosed