SCHEMBL5435451

SCHEMBL5435451

C=CC(=O)OC12CC3CC(CC(C3)C1)C2.Oc1ccc(C=CC=Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 3/20 0.38
AKR1B1 P15121 3/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MAPT P10636 3/20 0.37
GABBR2 O75899 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
APP P05067 1/20 0.37
KMT2A Q03164 3/20 0.36
ESR1 P03372 2/20 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
SCHEMBL5449120 0.91 MAPT (0.40) CA12CA7CA9CA14MAPT
SCHEMBL5447290 0.89 MMP1 (0.38) ESR1MAOBRAB9ARELARARB
SCHEMBL5449150 0.86 ESR1 (0.39) CA12CA4CA6CA5ACA7
SCHEMBL5446080 0.86 CYP1A2 (0.37) CA12CA7CA9CA14MAPT
SCHEMBL5455488 0.86 CYP17A1 (0.37) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5450986 0.85 THRB (0.46) AKR1B10AKR1B1CA12CA4CA6
SCHEMBL3841430 0.85 MAPT (0.38) CA12CA7CA9CA14MAPT
SCHEMBL5440495 0.84 KMT2A (0.41) AKR1B10AKR1B1CA12CA4CA6
SCHEMBL5442500 0.84 GABBR2 (0.36) AKR1B10AKR1B1CA12CA4CA6
SCHEMBL31520865 0.84 STAT3 (0.43) AKR1B10AKR1B1CA12CA4CA6

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