SCHEMBL10883241

SCHEMBL10883241

CCOC(=O)c1ccc(O)c(C(=O)OCC)c1C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.67
CA1 P00915 5/20 0.67
CA2 P00918 5/20 0.67
CA7 P43166 5/20 0.67
CA9 Q16790 5/20 0.67
CA14 Q9ULX7 5/20 0.67
NR1H2 P55055 1/20 0.59
NR1H3 Q13133 1/20 0.59
TSHR P16473 1/20 0.55
CYP3A4 P08684 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD17B2 P37059 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL28161602 0.90 TSHR (0.65) CA12CA1CA2CA7CA9
SCHEMBL27786812 0.87 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL10882650 0.84 CA12 (0.82) CA12CA1CA2CA7CA9
SCHEMBL8075154 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL5788019 0.80 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL28849157 0.80 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL8442287 0.80 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL29266102 0.79 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL639072 0.79 ALDH1A1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL28302801 0.79 CA12 (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083839-B1 PROCESS FOR PRODUCING INORGANIC FIBER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-03-05 EP disclosed
US-4495121-A SPINNING A POLYMETALOXANE, CALCINING SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1985-01-22 US disclosed
EP-0083839-A2 Process for producing inorganic fiber SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 EP disclosed