SCHEMBL5453535

SCHEMBL5453535

C=C(C)C(=O)OC(C)(C)c1ccccc1.CC(C)(C)c1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
CYP1A2 P05177 1/20 0.40
ESRRG P62508 3/20 0.38
LMNA P02545 2/20 0.37
TYR P14679 1/20 0.37
CYP3A4 P08684 3/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TNIK Q9UKE5 1/20 0.37
APP P05067 1/20 0.36
STAT3 P40763 1/20 0.36
RAB9A P51151 2/20 0.35
HSPD1 P10809 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
HSPE1 P61604 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL5453451 0.94 APP (0.39) TYRCYP3A4ESR1ESR2ALDH1A1
SCHEMBL5453739 0.91 MAPT (0.39) CYP3A4ESR1ESR2ALDH1A1APP
SCHEMBL5450238 0.91 TRPV1 (0.41) TRPV1CYP1A2ESRRGLMNATYR
SCHEMBL5433795 0.87 CYP1A2 (0.44) TRPV1CYP1A2ESRRGLMNATYR
SCHEMBL5440577 0.83 APP (0.40) TYRCYP3A4ESR1ESR2ALDH1A1
SCHEMBL1506495 0.83 APP (0.42) TYRCYP3A4ESR1ESR2ALDH1A1
SCHEMBL26059969 0.81 ESR1 (0.42) ESRRGLMNATYRCYP3A4ESR1
SCHEMBL5439130 0.80 MAPT (0.40) CYP3A4ALDH1A1APPSTAT3RAB9A
SCHEMBL16858289 0.79 HDAC1 (0.40) CYP1A2LMNATYRALDH1A1RAB9A
SCHEMBL3393201 0.79 ALDH1A1 (0.48) CYP1A2CYP3A4ESR1ESR2ALDH1A1

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
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
US-20030017425-A1 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2003-01-23 US disclosed