SCHEMBL9622873

SCHEMBL9622873

O=C(O)c1ccc(OCCOc2ccc(C(=O)O)cc2Br)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.56
PLAU P00749 1/20 0.56
ST14 Q9Y5Y6 1/20 0.56
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
PTPN11 Q06124 1/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 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
SCHEMBL9623626 0.92 PKM (0.60) F2PLAUST14POLBCASP6
SCHEMBL15067519 0.91 F2 (0.51) F2PLAUST14POLBCASP6
SCHEMBL177193 0.90 THRA (0.56) F2PLAUST14POLBCASP6
SCHEMBL10877765 0.90 F2 (0.54) F2PLAUST14POLBCASP6
SCHEMBL9622894 0.89 TSHR (0.49) F2PLAUST14POLBCASP6
SCHEMBL8915838 0.89 F2 (0.53) F2PLAUST14THRATHRB
SCHEMBL11364819 0.89 THRA (0.66) THRATHRBPTPN11ALDH1A1TSHR
SCHEMBL9638859 0.87 THRA (0.68) THRATHRBPTPN11ALDH1A1TSHR
SCHEMBL11436573 0.87 THRA (0.68) THRATHRBPTPN11ALDH1A1TSHR
SCHEMBL26926728 0.87 THRA (0.68) THRATHRBPTPN11ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60118713-A None JP disclosed
JP-59041331-A None JP disclosed
EP-0212944-B1 MELT-PROCESSABLE AROMATIC COPOLYESTER Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-04-08 EP disclosed
US-4746721-A ENGINEERING PLASTICS KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1988-05-24 US disclosed
EP-0212944-A2 Melt-processable aromatic copolyester Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1987-03-04 EP disclosed
US-4605727-A ANISTROPIC POLYMERS BASED ON A HYDROQUINONE, TEREPHTHALIC ACID AND 1,2-BIS/2-HALOPHENOXY/ETHANE-4,4'-DICARBOXYLIC ACID; LOW MELTING MOLDING MATERIALS DIRECTOR GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1986-08-12 US disclosed
JP-S60118713-A CRYSTALLINE COPOLYMERIZED POLYESTER TORAY IND INC 1985-06-26 JP disclosed
JP-S5941331-A HALOGEN-CONTAINING AROMATIC POLYESTER AGENCY OF IND SCIENCE & TECHNOL 1984-03-07 JP disclosed