SCHEMBL9870348

SCHEMBL9870348

O=C(O)n1ccc(=O)c(OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.44
MAPK14 Q16539 6/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.42
ALPG P10696 1/20 0.42
PTK2B Q14289 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
LIPE Q05469 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL2115729 0.78 MAPK14 (0.51) MAPK14MEN1ALDH1A1HPGDHTT
Propionic Acid SCHEMBL28565391 0.76 MAPK14 (0.42) MAPK14MEN1ALDH1A1HPGDHTT
SCHEMBL10671051 0.76 MAPK14 (0.47) MAPK14MEN1ALDH1A1HPGDHTT
SCHEMBL17695114 0.75 MAPK14 (0.41) MAPK14MEN1ALDH1A1HPGDHTT
SCHEMBL27937365 0.75 COMT (0.49) MAPK14MEN1ALDH1A1HPGDHTT
SCHEMBL28378443 0.74 MAPK14 (0.42) MAPK14MEN1ALDH1A1HPGDHTT
SCHEMBL17128962 0.74 MAPK14 (0.42) MAPK14MEN1ALDH1A1HPGDHTT
SCHEMBL29067955 0.74 MAPK14 (0.48) MAPK14MEN1ALDH1A1HPGDHTT
SCHEMBL23258867 0.73 MAPT (0.59) SGMS2MAPK14BRD4ALPGPTK2B
SCHEMBL12949898 0.72 MAPK14 (0.41) MAPK14MEN1ALDH1A1HPGDHTT

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-5015737-A Antibiotics, bactericides THE UPJOHN COMPANY (US) 1991-05-14 US disclosed
US-4743685-A 2-oxo-1-[[(substituted sulfonyl)amino]carbonyl]azetidines E. R. SQUIBB & SONS, INC. (US) 1988-05-10 US disclosed