SCHEMBL10066817

SCHEMBL10066817

CCC(C)(C)Oc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.40
▸ FFAR1 O14842 3/20 0.40
▸ CASP1 P29466 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ BCL2 P10415 4/20 0.36
▸ BCL2L1 Q07817 4/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CNR1 P21554 1/20 0.34

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
SCHEMBL12606797 0.86 MCL1 (0.41) MCL1FFAR1CASP1CNR2HTT
SCHEMBL14364714 0.86 HTT (0.38) MCL1CASP1HTTSMN1; SMN2LMNA
SCHEMBL13181443 0.86 MCL1 (0.45) MCL1CASP1HTTSMN1; SMN2MAPT
SCHEMBL13243767 0.82 HSD11B1 (0.37) MCL1HTTSMN1; SMN2MAPTALDH1A1
SCHEMBL12608155 0.82 MAPT (0.46) CNR2SMN1; SMN2GAAMAPTKDM4E
SCHEMBL9915246 0.82 FFAR1 (0.42) MCL1FFAR1CASP1CNR2HTT
SCHEMBL12608152 0.80 HTT (0.43) MCL1FFAR1CASP1CNR2HTT
SCHEMBL13924246 0.79 MAPT (0.39) CNR2HTTSMN1; SMN2GAAMAPT
SCHEMBL12807707 0.76 HSD11B1 (0.36) FFAR1CASP1CNR2PTPN1CNR1
SCHEMBL13266196 0.73 HTT (0.46) HTTSMN1; SMN2MAPTALDH1A1LMNA

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-8178590-B2 Block copolymer and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-15 — — US disclosed
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