SCHEMBL14001987

SCHEMBL14001987

CCC(C)(C)C(=O)OCC(=O)Oc1cccc2c(O)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 13/20 0.45
▸ ESR2 Q92731 13/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ GAA P10253 3/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ CDC25B P30305 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35

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
SCHEMBL92373 0.86 ESR1 (0.51) ESR1ESR2MEN1KMT2AGAA
SCHEMBL15113874 0.81 IDO1 (0.42) ESR1ESR2MEN1KMT2AGAA
SCHEMBL15216367 0.80 CDC25B (0.42) ESR1ESR2MEN1KMT2AGAA
SCHEMBL18671983 0.79 ESR1 (0.49) ESR1ESR2MEN1KMT2AGAA
SCHEMBL8737835 0.78 ESR1 (0.44) ESR1ESR2MEN1KMT2AGAA
SCHEMBL11963911 0.76 ESR1 (0.47) ESR1ESR2MEN1KMT2AGAA
SCHEMBL8738362 0.76 CDC25B (0.39) ESR1ESR2GAACDC25BCA12
SCHEMBL14220068 0.76 ESR1 (0.49) ESR1ESR2MEN1KMT2AGAA
SCHEMBL15113865 0.75 ESR1 (0.39) ESR1ESR2MEN1KMT2AGAA
SCHEMBL18785883 0.74 ESR1 (0.57) ESR1ESR2MEN1KMT2AGAA

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-7449277-B2 Positive resist compositions and patterning process SHIN-ETSU CHEMICAL C., LTD (JP) 2008-11-11 — — US disclosed
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