SCHEMBL5449149

SCHEMBL5449149

C=C(C)c1ccc(O)cc1.C=CC(=O)OC(C)(C)CC.C=Cc1ccc(CC)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.33
THRB P10828 3/20 0.33
ESR1 P03372 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
ESR2 Q92731 2/20 0.33
THRA P10827 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32
ALDH5A1 P51649 1/20 0.32
ABAT P80404 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
SCHEMBL7134894 0.89 ESRRG (0.40) CA12CA1CA2CA7CA9
SCHEMBL31474471 0.87 THRB (0.40) MAOBTHRBTHRAMEN1KMT2A
4-Vinylphenol SCHEMBL6907688 0.80 CA1 (0.45) MAOBESR1CA12CA1CA2
SCHEMBL31474480 0.78 PPARA (0.36) MAOBTHRBCA12CA1CA2
SCHEMBL31474478 0.78 MAPT (0.34) MAOBTHRBTHRAMEN1KMT2A
SCHEMBL31474456 0.78 THRB (0.55) THRBTHRAMEN1KMT2ATAS1R3
SCHEMBL7140237 0.76 ESRRG (0.41) CA12CA1CA2CA7CA9
SCHEMBL31474504 0.76 THRB (0.52) THRBTHRAMEN1KMT2AALDH1A1
SCHEMBL31474463 0.76 THRB (0.37) THRBESR1MEN1KMT2ATAS1R3
SCHEMBL31474498 0.75 CYP1A2 (0.41) THRBCA1CA2MEN1KMT2A

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 2 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-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