SCHEMBL9622894

SCHEMBL9622894

O=C(O)c1ccc(OCCOc2cc(Br)c(C(=O)O)cc2Br)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTPN11 Q06124 2/20 0.48
F2 P00734 1/20 0.47
PLAU P00749 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
FOLH1 Q04609 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9622873 0.89 F2 (0.56) TSHRPTPN11F2PLAUST14
SCHEMBL10637207 0.85 PTPN11 (0.45) PTPN11F2PLAUST14THRA
SCHEMBL9623626 0.82 PKM (0.60) TSHRF2PLAUST14POLB
SCHEMBL15067519 0.81 F2 (0.51) TSHRPTPN11F2PLAUST14
SCHEMBL177193 0.80 THRA (0.56) TSHRPTPN11F2PLAUST14
SCHEMBL10877765 0.80 F2 (0.54) PTPN11F2PLAUST14THRA
SCHEMBL8915838 0.79 F2 (0.53) PTPN11F2PLAUST14THRA
SCHEMBL11364819 0.79 THRA (0.66) TSHRPTPN11THRATHRBALDH1A1
SCHEMBL11436573 0.78 THRA (0.68) TSHRPTPN11THRATHRBALDH1A1
SCHEMBL26926728 0.78 THRA (0.68) TSHRPTPN11THRATHRBALDH1A1

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-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