SCHEMBL9505270

SCHEMBL9505270

CCOC(=O)c1ccc(C(=O)OCC)c2c(C(=O)OCC)ccc(C(=O)OCC)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
CA12 O43570 5/20 0.60
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
CA7 P43166 5/20 0.60
CA9 Q16790 5/20 0.60
CA14 Q9ULX7 5/20 0.60
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 1/20 0.57
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
KMT2A Q03164 4/20 0.50
CYP1A2 P05177 3/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAOA P21397 1/20 0.50
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 1/20 0.47

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
SCHEMBL9794664 0.92 TSHR (0.59) TSHRCA12CA1CA2CA7
SCHEMBL13525909 0.92 TSHR (0.59) TSHRCA12CA1CA2CA7
SCHEMBL28778200 0.85 TSHR (0.52) TSHRCA12CA1CA2CA7
SCHEMBL28161602 0.84 TSHR (0.65) TSHRCA12CA1CA2CA7
SCHEMBL30960327 0.84 TSHR (0.65) TSHRCA12CA1CA2CA7
SCHEMBL4262832 0.84 TSHR (0.65) TSHRCA12CA1CA2CA7
SCHEMBL9504146 0.82 ALDH1A1 (0.70) TSHRALDH1A1HSD17B10ESR1LMNA
SCHEMBL292394 0.82 TSHR (0.63) TSHRCA12CA1CA2CA7
SCHEMBL3681837 0.81 TSHR (0.68) TSHRCA12CA1CA2CA7
Diethyl Phthalate SCHEMBL22296 0.81 TSHR (1.00) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263705-B1 THE USE OF THERMOPLASTIC POLYESTER RESIN COMPOSITION FOR UV-SCREENING MITSUBISHI KASEI CORPORATION (JP) 1993-06-30 EP disclosed
US-4814366-A ULTRAVIOLET SCREENING AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-03-21 US disclosed
EP-0263705-A2 The use of thermoplastic polyester resin composition for UV-screening MITSUBISHI KASEI CORPORATION (JP) 1988-04-13 EP disclosed