SCHEMBL8517049

SCHEMBL8517049

C=C(C)C(=O)OC.C=Cc1ccc(OC(C=Cc2ccc(O)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TYR P14679 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HIF1A Q16665 3/20 0.33
EPAS1 Q99814 3/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL7864218 0.91 MIF (0.43) MIFMAPTALDH1A1CYP3A4CYP2C9
4-Vinylphenol SCHEMBL2474027 0.79 ELANE (0.45) MIFMAPTALDH1A1MMP2MMP9
4-Vinylphenol SCHEMBL482393 0.76 ALDH1A1 (0.52) MIFMAPTALDH1A1MMP2MMP9
4-Vinylphenol SCHEMBL2475223 0.75 MIF (0.46) MIFALDH1A1CYP2C9CA12CA1
4-Vinylphenol SCHEMBL3325662 0.73 MIF (0.40) MIFMAPTALDH1A1CA12CA1
SCHEMBL2474025 0.73 ELANE (0.44) MIFMAPTALDH1A1MMP2MMP9
SCHEMBL6551626 0.72 STAT3 (0.43) MIFMAPTALDH1A1MMP2MMP9
SCHEMBL8517164 0.72 STAT3 (0.47) MIFMAPTALDH1A1MMP2MMP9
SCHEMBL6551677 0.72 STAT3 (0.46) MAPTALDH1A1MMP2MMP9MMP13
4-Vinylphenol SCHEMBL4396988 0.71 ALDH1A1 (0.46) MIFMAPTALDH1A1CYP3A4MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675410-B1 Resist composition for deep ultraviolet light WAKO PURE CHEM IND LTD (JP) 1999-08-04 EP disclosed
US-5780206-A USING AN ANTHRACENE DERIVATIVE AS AN ABSORBER ON HIGHLY REFLECTIVE SURFACES; ALKALI-SOLUBLE POLYMERS; GENERATION OF ACID CATALYSTS; FINE PATTERNS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-14 US disclosed
US-5695910-A RESIN BECOMES ALKALI SOLUBLE BY ELIMINATING PROTECTIVE GROUPS BY ACTION OF IN SITU GENERATED ACID WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-09 US disclosed
EP-0675410-A1 Resist composition for deep ultraviolet light WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1995-10-04 EP disclosed