SCHEMBL5454879

SCHEMBL5454879

C=C(C)C(=O)OC(C)(C)C.Cc1cccc(C=CC=Cc2ccc(O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
RELA Q04206 1/20 0.40
TTR P02766 1/20 0.39
MAOB P27338 2/20 0.39
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
APP P05067 2/20 0.36
MIF P14174 1/20 0.36
STAT3 P40763 1/20 0.36
MAOA P21397 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL5438375 0.88 MAPT (0.44) MMP1MMP2MMP9MAOBPTGS1
SCHEMBL1506495 0.88 APP (0.42) MMP1MMP2MMP9RELATTR
SCHEMBL5442451 0.86 MMP1 (0.43) MMP1MMP2MMP9RELATTR
SCHEMBL2708850 0.85 CCNB2 (0.47) MMP1MMP2MMP9MAOBCCNB2
Styrene SCHEMBL7711595 0.83 CYP3A4 (0.41) RELATTRMAOBAPPMIF
SCHEMBL5433795 0.82 CYP1A2 (0.44) APPMIFSTAT3
SCHEMBL7086470 0.81 MMP1 (0.47) MMP1MMP2MMP9RELATTR
SCHEMBL3325658 0.81 STAT3 (0.44) MMP1MMP2MMP9TTRMAOB
SCHEMBL5439345 0.80 APP (0.39) MAOBALOX5PTGS1PTGS2APP
SCHEMBL5438976 0.80 KDM4E (0.41) MMP2MMP9PTGS1PTGS2APP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed
US-6949329-B2 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-09-27 US disclosed
US-20040170918-A1 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2004-09-02 US disclosed