SCHEMBL10782892

SCHEMBL10782892

O=C(O)c1ccc(C(=O)Oc2ccccc2OC(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
SERPINE1 P05121 1/20 0.55
SLC6A3 Q01959 1/20 0.55
TSHR P16473 2/20 0.54
DAO P14920 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
MEN1 O00255 1/20 0.53
JAK2 O60674 1/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TP53 P04637 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52

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
SCHEMBL28083375 0.91 PRSS1 (0.65) MAPTKMT2ASMN1; SMN2SLC6A3TSHR
SCHEMBL725404 0.89 KMT2A (0.76) MAPTKMT2ASMN1; SMN2SERPINE1SLC6A3
SCHEMBL27686553 0.88 ESR1 (0.60) MAPTKMT2ASMN1; SMN2SERPINE1SLC6A3
SCHEMBL11273464 0.88 KDM4E (0.64) MAPTKMT2ASMN1; SMN2SLC6A3TSHR
SCHEMBL7539631 0.87 HPGD (0.64) MAPTKMT2ASMN1; SMN2SLC6A3TSHR
SCHEMBL28678136 0.87 RXRA (0.64) MAPTKMT2ASMN1; SMN2SLC6A3ESR1
Bromide SCHEMBL29588519 0.86 KMT2A (0.73) MAPTKMT2ASMN1; SMN2SERPINE1SLC6A3
Hydrochloric Acid SCHEMBL16050041 0.86 KMT2A (0.73) MAPTKMT2ASMN1; SMN2SERPINE1SLC6A3
SCHEMBL11200265 0.86 CA12 (0.52) MAPTKMT2ASMN1; SMN2SLC6A3TSHR
SCHEMBL24808008 0.84 TSHR (0.62) MAPTKMT2ASMN1; SMN2SERPINE1SLC6A3

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-0052927-B1 STRETCHED FILM STRUCTURE OF THE POLY-1,3-PHENYLENE TEREPHTHALATE TYPE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-01-07 EP disclosed