SCHEMBL14454544

SCHEMBL14454544

CCC(C)(C)Oc1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD11B1 P28845 4/20 0.44
▸ PKM P14618 2/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ ELANE P08246 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10709557 0.92 PKM (0.50) CA1CA2CA9ALDH1A1HSD11B1
SCHEMBL10033513 0.92 ALDH1A1 (0.41) CA1CA2CA9ALDH1A1HSD11B1
SCHEMBL10025072 0.89 NPC1 (0.45) HSD11B1PKMELANELMNAPOLB
SCHEMBL12961576 0.89 HSD11B1 (0.42) ALDH1A1HSD11B1PKMLOXL2ELANE
SCHEMBL15242131 0.85 PKM (0.63) CA1CA2ALDH1A1HSD11B1PKM
SCHEMBL16421109 0.85 ALDH1A1 (0.45) CA1CA2CA9ALDH1A1HSD11B1
SCHEMBL12606789 0.85 GAA (0.53) ALDH1A1PKMELANEGAABCHE
SCHEMBL19524898 0.85 HTT (0.49) ALDH1A1HSD11B1LMNAPOLBNR1I2
SCHEMBL10066693 0.85 NPC1 (0.53) ALDH1A1HSD11B1PKMELANELMNA
SCHEMBL13823010 0.85 HSD11B1 (0.40) ALDH1A1HSD11B1PKMELANEGAA

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-7258941-B2 Polymer electrolyte for solid polymer type fuel cell and fuel cell UBE INDUSTRIES, LTD. (JP) 2007-08-21 — — US disclosed
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