SCHEMBL10119404

SCHEMBL10119404

CS(=O)(=O)c1cccc(C(c2cc(C=O)ccc2O)c2cc(C=O)ccc2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
ALDH5A1 P51649 2/20 0.37
ABAT P80404 2/20 0.37
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
AKR1C3 P42330 1/20 0.34
AOX1 Q06278 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL10119391 0.83 ALDH1A1 (0.46) KDM4ERAB9AALDH1A1GAAHPGD
SCHEMBL10106319 0.81 ALDH1A1 (0.45) PTGS2KDM4ERAB9AALDH1A1GAA
SCHEMBL10106334 0.81 KDM4E (0.43) PTGS2KDM4ERAB9AALDH1A1GAA
SCHEMBL10176595 0.81 ALDH1A1 (0.39) PTGS2KDM4ERAB9AALDH1A1SLC6A4
SCHEMBL10106351 0.79 ALDH1A1 (0.51) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL7074379 0.78 KDM4E (0.50) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL10106344 0.78 RAB9A (0.43) PTGS2KDM4ERAB9AALDH1A1GAA
SCHEMBL10106450 0.77 ALDH1A1 (0.40) PTGS2KDM4ERAB9AALDH1A1ALDH5A1
SCHEMBL10106385 0.77 ALDH1A1 (0.44) PTGS2KDM4ERAB9AALDH1A1GAA
SCHEMBL10106338 0.77 ALDH1A1 (0.48) PTGS2KDM4ERAB9AALDH1A1GAA

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-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-8119672-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-02-21 US disclosed