SCHEMBL9963760

SCHEMBL9963760

CCC(C)c1ccc2cc(OS(=O)(=O)CCCOc3c(F)c(F)c(S(=O)(=O)O)c(F)c3F)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ ABCB11 O95342 1/20 0.34
▸ AKR1C3 P42330 5/20 0.34
▸ AKR1C2 P52895 5/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA4 P22748 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALPL P05186 2/20 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
SCHEMBL16591133 0.87 AKR1C3 (0.41) ALDH1A1ABCB11AKR1C3AKR1C2MEN1
SCHEMBL9963771 0.86 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL16683138 0.82 ABCB11 (0.41) ALDH1A1ABCB11AKR1C3AKR1C2TSHR
SCHEMBL16865905 0.82 MEN1 (0.48) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL16081294 0.82 MEN1 (0.48) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL16081296 0.81 MEN1 (0.47) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL16591097 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL9963679 0.80 TDP1 (0.30) TDP1
SCHEMBL16081291 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL16683145 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATDP1TSHR

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-9052590-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2015-06-09 — — US disclosed
US-20120156618-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-06-21 — — US disclosed
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