SCHEMBL10077149

SCHEMBL10077149

CC(C)(C)CC1(C(=O)Oc2cccc3c(O)cccc23)CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 13/20 0.45
▸ ESR2 Q92731 13/20 0.45
▸ KMT2A Q03164 6/20 0.44
▸ GAA P10253 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PGR P06401 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL10077944 0.81 CDK2 (0.33) ESR1ESR2CDK2CDC25B
SCHEMBL12999201 0.76 LDHA (0.33) NPSR1
SCHEMBL18785883 0.70 ESR1 (0.57) ESR1ESR2KMT2AGAAMEN1
SCHEMBL14220068 0.69 ESR1 (0.49) ESR1ESR2KMT2AGAAMEN1
SCHEMBL92373 0.69 ESR1 (0.51) ESR1ESR2KMT2AGAAMEN1
SCHEMBL14477152 0.69 ESR1 (0.48) ESR1ESR2KMT2AGAAMEN1
SCHEMBL10957911 0.68 ESR1 (0.62) ESR1ESR2KMT2AGAAMEN1
SCHEMBL20274282 0.68 ESR1 (0.52) ESR1ESR2KMT2AGAAMEN1
SCHEMBL12999208 0.68 ESR1 (0.47) ESR1ESR2KMT2AGAAMEN1
SCHEMBL18671983 0.67 ESR1 (0.49) ESR1ESR2KMT2AGAAMEN1

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-2412733-A1 Polymer, chemically amplified negative resist composition, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-02-01 — — EP disclosed
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