SCHEMBL12263813

SCHEMBL12263813

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.37
▸ ESR2 Q92731 9/20 0.37
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ GAA P10253 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ ELANE P08246 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ RIPK1 Q13546 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ PTGS1 P23219 1/20 0.33

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
SCHEMBL12263814 0.90 ESR1 (0.34) ESR1ESR2MEN1KMT2AGAA
SCHEMBL18135082 0.84 ESR1 (0.44) ESR1ESR2MEN1KMT2AGAA
SCHEMBL92373 0.83 ESR1 (0.51) ESR1ESR2MEN1KMT2AGAA
SCHEMBL13706054 0.82 MEN1 (0.37) ESR1ESR2MEN1KMT2AGAA
SCHEMBL13706058 0.81 ELANE (0.34) ESR1ESR2MEN1KMT2AGAA
SCHEMBL15447048 0.81 LMNA (0.45) GAAHSD17B10SMN1; SMN2MAPTL3MBTL1
SCHEMBL12021737 0.80 ALDH1A1 (0.41) ESR1ESR2MEN1KMT2AGAA
SCHEMBL18135087 0.80 GLA (0.41) GAASMN1; SMN2NPSR1L3MBTL1ELANE
SCHEMBL12263819 0.80 ESR1 (0.37) ESR1ESR2MEN1KMT2AGAA
SCHEMBL12263820 0.79 ESR1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017303-B2 Ultra low post exposure bake photoresist materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-09-13 — — US disclosed
US-20100216071-A1 ULTRA LOW POST EXPOSURE BAKE PHOTORESIST MATERIALS INTERNATIONAL BUSINESS MACHINES CORPORATION 2010-08-26 — — US disclosed
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