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SCHEMBL12091348

SCHEMBL12091348

COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(-c%10ccc(Oc%11ccc(S(=O)(=O)c%12ccc(Oc%13ccc(-c%14ccc(Oc%15ccc(S(=O)(=O)c%16ccc(Oc%17ccc(-c%18ccc(Oc%19ccc(S(=O)(=O)c%20ccc(Oc%21ccc(-c%22ccc(Oc%23ccc(S(=O)(=O)c%24ccc(Oc%25ccc(-c%26ccc(Oc%27ccc(S(=O)(=O)c%28ccc(Oc%29ccc(-c%30ccc(Oc%31ccc(S(=O)(=O)c%32ccc(Oc%33ccc(-c%34ccc(Oc%35ccc(S(=O)(=O)c%36ccc(Oc%37ccc(-c%38ccc(Oc%39ccc(S(=O)(=O)c%40ccc(Oc%41ccc(-c%42ccc(Oc%43ccc(S(=O)(=O)c%44ccc(Oc%45ccc(-c%46ccc(Oc%47ccc(S(=O)(=O)c%48ccc(Oc%49ccc(-c%50ccc(Oc%51ccc(S(=O)(=O)c%52ccc(Oc%53ccc(-c%54ccc(Oc%55ccc(S(=O)(=O)c%56ccc(Oc%57ccc(-c%58ccc(Oc%59ccc(S(=O)(=O)c%60ccc(Oc%61ccc(-c%62ccc(Oc%63ccc(S(=O)(=O)c%64ccc(Oc%65ccc(-c%66ccc(Oc%67ccc(S(=O)(=O)c%68ccc(Oc%69ccc(-c%70ccc(Oc%71ccc(S(=O)(=O)c%72ccc(Oc%73ccc(-c%74ccc(Oc%75ccc(S(=O)(=O)c%76ccc(Oc%77ccc(-c%78ccc(Oc%79ccc(S(=O)(=O)c%80ccccc%80)cc%79S(=O)(=O)O)cc%78)cc%77)cc%76)cc%75S(=O)(=O)O)cc%74)cc%73)cc%72)cc%71S(=O)(=O)O)cc%70)cc%69)cc%68)cc%67S(=O)(=O)O)cc%66)cc%65)cc%64)cc%63S(=O)(=O)O)cc%62)cc%61)cc%60)cc%59S(=O)(=O)O)cc%58)cc%57)cc%56)cc%55S(=O)(=O)O)cc%54)cc%53)cc%52)cc%51S(=O)(=O)O)cc%50)cc%49)cc%48)cc%47S(=O)(=O)O)cc%46)cc%45)cc%44)cc%43S(=O)(=O)O)cc%42)cc%41)cc%40)cc%39S(=O)(=O)O)cc%38)cc%37)cc%36)cc%35S(=O)(=O)O)cc%34)cc%33)cc%32)cc%31S(=O)(=O)O)cc%30)cc%29)cc%28)cc%27S(=O)(=O)O)cc%26)cc%25)cc%24)cc%23S(=O)(=O)O)cc%22)cc%21)cc%20)cc%19S(=O)(=O)O)cc%18)cc%17)cc%16)cc%15S(=O)(=O)O)cc%14)cc%13)cc%12)cc%11S(=O)(=O)O)cc%10)cc9)cc8)cc7S(=O)(=O)O)cc6)cc5)cc4)cc3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 13/20 0.48
▸ MMP12 P39900 13/20 0.48
▸ MMP9 P14780 12/20 0.48
▸ MMP8 P22894 10/20 0.48
▸ MMP13 P45452 10/20 0.48
▸ MMP14 P50281 10/20 0.48
▸ MMP16 P51512 10/20 0.48
▸ MMP3 P08254 7/20 0.48
▸ MMP1 P03956 4/20 0.48
▸ PKM P14618 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL12780764 0.95 PKM (0.51) MMP2MMP12MMP9MMP8MMP13
SCHEMBL12190621 0.93 PKM (0.50) MMP2MMP12MMP9MMP8MMP13
SCHEMBL12091355 0.91 HTT (0.48) MMP2MMP12MMP9MMP8MMP13
SCHEMBL18355435 0.91 HTT (0.48) MMP2MMP12MMP9MMP8MMP13
SCHEMBL12449375 0.91 HTT (0.48) MMP2MMP12MMP9MMP8MMP13
SCHEMBL16435166 0.91 HTT (0.48) MMP2MMP12MMP9MMP8MMP13
SCHEMBL15865582 0.89 PKM (0.48) MMP2MMP12MMP9MMP8MMP13
SCHEMBL12780798 0.89 PKM (0.58) MMP2MMP12MMP9MMP8MMP13
SCHEMBL12736434 0.89 PKM (0.48) MMP2MMP12MMP9MMP8MMP13
SCHEMBL12092785 0.88 PKM (0.46) MMP2MMP12MMP9MMP8MMP13

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-20120223010-A1 SULFONATED POLY (ARYL ETHER) MEMBRANE INCLUDING BLEND WITH PHENYL AMINE COMPOUND THE DOW CHEMICAL COMPANY 2012-09-06 — — US disclosed
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