SCHEMBL20126396

SCHEMBL20126396

Nc1c(OCCCO)cc(O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 3/20 0.45
HPGD P15428 2/20 0.45
MAOA P21397 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
BRCA1 P38398 2/20 0.45
KDM4E B2RXH2 2/20 0.45
DAPK1 P53355 2/20 0.45
TTR P02766 2/20 0.45
CYP1A1 P04798 2/20 0.45
CYP3A4 P08684 1/20 0.45
HSPD1 P10809 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL2833211 0.95 MEN1 (0.43) PTPN1MEN1KMT2AMAPTTDP1
SCHEMBL29710715 0.95 MEN1 (0.43) PTPN1MEN1KMT2AMAPTTDP1
SCHEMBL11753630 0.95 MEN1 (0.43) PTPN1MEN1KMT2AMAPTTDP1
SCHEMBL29710714 0.93 MEN1 (0.46) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL2837557 0.93 MEN1 (0.46) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL10085670 0.93 MEN1 (0.49) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL5691087 0.87 KCNA3 (0.43) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13674420 0.87 PTPN1 (0.44) PTPN1MEN1KMT2AMAPTTDP1
SCHEMBL11798707 0.87 MEN1 (0.43) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL12311505 0.87 KCNA3 (0.54) MEN1KMT2AMAPTTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127916-A1 TEXTILE MATERIALS CONTAINING DYED POLYPHENYLENE SULFIDE FIBERS AND METHODS FOR PRODUCING THE SAME MILLIKEN & COMPANY 2018-05-10 US disclosed
US-20180127916-A1 TEXTILE MATERIALS CONTAINING DYED POLYPHENYLENE SULFIDE FIBERS AND METHODS FOR PRODUCING THE SAME MILLIKEN & COMPANY 2018-05-10 US disclosed