SCHEMBL12606797

SCHEMBL12606797

CCCC(C)(C)Oc1cccc2c(Oc3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.41
▸ CASP1 P29466 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ BCL2 P10415 4/20 0.36
▸ BCL2L1 Q07817 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ TP53 P04637 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL12608154 0.87 MCL1 (0.39) MCL1CASP1MAPTLMNAHTT
SCHEMBL10066817 0.86 MCL1 (0.40) MCL1CASP1CNR2BCL2BCL2L1
SCHEMBL13243767 0.78 HSD11B1 (0.37) MCL1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL9915246 0.75 FFAR1 (0.42) MCL1CASP1CNR2BCL2BCL2L1
SCHEMBL13602275 0.74 MCL1 (0.35) MCL1CNR2MAPTALDH1A1GAA
SCHEMBL13266249 0.74 MCL1 (0.35) MCL1CNR2MAPTALDH1A1HTT
SCHEMBL12608152 0.73 HTT (0.43) MCL1CASP1CNR2BCL2BCL2L1
SCHEMBL13329235 0.73 HTT (0.40) MCL1CASP1CNR2MAPTALDH1A1
SCHEMBL14364714 0.73 HTT (0.38) MCL1CASP1LMNAHTTSMN1; SMN2
SCHEMBL13181443 0.73 MCL1 (0.45) MCL1CASP1MAPTLMNAHTT

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-20110151355-A1 POLYMER, POLYMER ELECTROLYTE AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 — — US disclosed
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