SCHEMBL10077944

SCHEMBL10077944

CC(C)(C)CC1(C(=O)OCc2cccc3c(O)cccc23)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.33
▸ CYBB P04839 1/20 0.32
▸ CDC25B P30305 2/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30

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
SCHEMBL12999201 0.93 LDHA (0.33) —
SCHEMBL10077149 0.81 ESR1 (0.45) CDK2CDC25BESR1ESR2
SCHEMBL10077941 0.76 MEN1 (0.41) ESR1ESR2
SCHEMBL19558277 0.74 KDM4E (0.44) CDK2CYBBCDC25BESR1ESR2
SCHEMBL19264731 0.71 CYBB (0.35) CDK2CYBBCDC25BESR1ESR2
SCHEMBL15189314 0.70 CDC25B (0.39) CDK2CYBBCDC25BESR1ESR2
SCHEMBL8738362 0.70 CDC25B (0.39) CDK2CYBBCDC25BESR1ESR2
SCHEMBL10077942 0.70 CYBB (0.34) CDK2CYBBCDC25BESR1ESR2
SCHEMBL14577613 0.70 CYBB (0.34) CDK2CYBBCDC25BEPHX1ESR1
SCHEMBL19222211 0.69 ESR1 (0.35) CDK2CYBBCDC25BESR1ESR2

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
EP-2412733-A1 Polymer, chemically amplified negative resist composition, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-02-01 — — EP disclosed
EP-2264525-A2 Chemically amplified positive photoresist composition and pattern forming process Shin-Etsu Chemical Co., Ltd. (JP) 2010-12-22 — — EP disclosed
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