SCHEMBL9760944

SCHEMBL9760944

O=C(O)c1cc(O)ccc1C(=O)OC(=O)c1ccc(O)cc1C(=O)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
ALDH1A1 P00352 6/20 0.49
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
TSHR P16473 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 3/20 0.47
CDC25B P30305 2/20 0.47
CDC25A P30304 1/20 0.47
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 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
Phthalic Acid SCHEMBL4885360 0.87 ALDH1A1 (0.64) ESR1ESR2ALDH1A1CA12CA1
SCHEMBL713624 0.83 ALDH1A1 (0.70) ESR1ALDH1A1CA12CA1CA2
SCHEMBL248317 0.83 ALDH1A1 (0.70) ESR1ALDH1A1CA12CA1CA2
SCHEMBL29393238 0.83 ALDH1A1 (0.70) ESR1ALDH1A1CA12CA1CA2
SCHEMBL2205785 0.82 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA7
SCHEMBL7030042 0.81 ALDH1A1 (0.67) ESR1ALDH1A1CA12CA1CA2
SCHEMBL16585286 0.81 ALDH1A1 (0.67) ESR1ALDH1A1CA12CA1CA2
SCHEMBL177949 0.81 ALDH1A1 (0.70) ESR1ESR2ALDH1A1CA12CA1
SCHEMBL31298798 0.81 ALDH1A1 (0.70) ESR1ESR2ALDH1A1CA12CA1
SCHEMBL6853171 0.81 KDM4E (0.61) ESR1ESR2ALDH1A1TSHRALOX15

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
US-5003031-A Polyimides and co-polyimides based on dioxydiphthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-26 US disclosed