SCHEMBL9623646

SCHEMBL9623646

O=C(O)c1cc(Br)c(OCCOc2c(Br)cc(C(=O)O)cc2Br)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.55
TTR P02766 1/20 0.54
PLAU P00749 1/20 0.53
KLK1 P06870 1/20 0.50
THRB P10828 9/20 0.49
THRA P10827 8/20 0.49
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.41

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
SCHEMBL9623582 0.88 TPMT (0.45) TPMTTTRPLAUKLK1THRB
SCHEMBL1458048 0.84 THRB (0.64) TPMTTTRTHRBTHRAKMT2A
SCHEMBL6841007 0.81 TPMT (0.45) TPMTTTRPLAUKLK1THRB
SCHEMBL13915098 0.79 KDM4E (0.56) KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL9623323 0.79 PLAU (0.79) TPMTTTRPLAUTHRBTHRA
SCHEMBL29108936 0.78 THRA (0.66) THRBTHRAKMT2ASMN1; SMN2MEN1
SCHEMBL3546802 0.77 TPMT (0.79) TPMTTTRTHRBTHRAKMT2A
SCHEMBL9623929 0.75 PLAU (0.53) TTRPLAUKMT2AALDH1A1SMN1; SMN2
SCHEMBL9622975 0.75 PLAU (0.49) TPMTPLAUTHRBTHRAKMT2A
SCHEMBL9622873 0.75 F2 (0.56) TPMTPLAUTHRBTHRAKMT2A

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