SCHEMBL9623925

SCHEMBL9623925

Cc1cc(C(=O)O)ccc1OCCOc1ccc(C(=O)O)cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
CASP6 P55212 1/20 0.55
MRGPRX4 Q96LA9 5/20 0.54
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
TPMT P51580 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TSHR P16473 1/20 0.51
WDR5 P61964 1/20 0.51
MYC P01106 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50
PTPN7 P35236 1/20 0.50

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
SCHEMBL2592269 0.93 KDM4E (0.50) POLBCASP6MRGPRX4THRATHRB
SCHEMBL12492247 0.91 THRA (0.56) POLBCASP6MRGPRX4THRATHRB
SCHEMBL12492815 0.91 MRGPRX4 (0.50) POLBCASP6MRGPRX4THRATHRB
SCHEMBL1665325 0.91 TSHR (0.49) POLBCASP6MRGPRX4THRATHRB
SCHEMBL27661001 0.90 MRGPRX4 (0.49) POLBCASP6MRGPRX4THRATHRB
SCHEMBL12492289 0.90 RARB (0.52) MRGPRX4THRATHRBWDR5
SCHEMBL30962301 0.90 THRA (0.51) POLBCASP6MRGPRX4THRATHRB
SCHEMBL27386021 0.90 THRA (0.51) POLBCASP6MRGPRX4THRATHRB
SCHEMBL17931010 0.90 WDR5 (0.63) THRATHRBTSHRWDR5
SCHEMBL2594977 0.89 POLB (0.47) POLBCASP6MRGPRX4THRATHRB

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