SCHEMBL5452249

SCHEMBL5452249

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
TYR P14679 2/20 0.43
LMNA P02545 1/20 0.43
APP P05067 1/20 0.42
ESRRG P62508 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
MIF P14174 1/20 0.41
STAT3 P40763 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
TRPV1 Q8NER1 5/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5435092 0.88 ESRRG (0.41) CYP1A2TYRLMNAESRRGCA12
SCHEMBL5440924 0.88 MAPT (0.46) TYRAPPCA12CA1CA2
Acrylic Acid Methyl Ester SCHEMBL2706204 0.88 CA1 (0.53) CYP1A2TYRLMNAAPPESRRG
SCHEMBL1506719 0.88 APP (0.43) TYRAPPCA12CA1CA2
SCHEMBL5448012 0.86 TRPV1 (0.41) CYP1A2TYRLMNAAPPESRRG
SCHEMBL6845429 0.84 CCNB2 (0.47) TYRAPPCA12CA1CA2
SCHEMBL5438748 0.84 CA12 (0.43) TYRAPPCA12CA1CA2
SCHEMBL5432692 0.84 CA12 (0.43) TYRLMNAAPPESRRGCA12
Acrylic Acid Ethyl Ester SCHEMBL2707789 0.84 CA12 (0.56) CYP1A2TYRLMNAAPPESRRG
SCHEMBL5433795 0.83 CYP1A2 (0.44) CYP1A2TYRLMNAAPPESRRG

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