SCHEMBL10434816

SCHEMBL10434816

Oc1ccc(Cc2ccc(-c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.82
ESR2 Q92731 3/20 0.82
MMP3 P08254 1/20 0.52
BCL2L1 Q07817 1/20 0.52
CYP3A4 P08684 4/20 0.52
CYP17A1 P05093 3/20 0.52
CYP11B1 P15538 3/20 0.52
CYP11B2 P19099 3/20 0.52
ABAT P80404 1/20 0.50
KEAP1 Q14145 1/20 0.50
ABL1 P00519 1/20 0.50
ABCB1 P08183 1/20 0.50
BCR P11274 1/20 0.50
CYP19A1 P11511 2/20 0.48
CA2 P00918 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PTPN1 P18031 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 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
SCHEMBL22451383 1.00 ESR1 (0.82) ESR1ESR2MMP3BCL2L1CYP3A4
SCHEMBL3174260 1.00 ESR1 (0.82) ESR1ESR2MMP3BCL2L1CYP3A4
SCHEMBL833872 1.00 ESR1 (0.82) ESR1ESR2MMP3BCL2L1CYP3A4
SCHEMBL36454 0.91 ESR1 (1.00) ESR1ESR2CYP3A4ABATKEAP1
SCHEMBL2969737 0.91 ESR1 (1.00) ESR1ESR2CYP3A4ABATKEAP1
SCHEMBL8056670 0.90 ESR1 (0.67) ESR1ESR2MMP3BCL2L1CYP3A4
SCHEMBL7938048 0.90 MMP3 (0.71) ESR1ESR2MMP3BCL2L1CYP3A4
SCHEMBL7039574 0.88 MMP3 (0.68) ESR1ESR2MMP3BCL2L1CYP3A4
Biphenyl SCHEMBL8082690 0.87 ESR1 (0.70) ESR1ESR2MMP3BCL2L1CYP3A4
SCHEMBL18770331 0.86 CYP17A1 (0.71) ESR1ESR2CYP3A4CYP17A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356660-A1 Aromatic polyethersulphones, process for their preparation and their use BAYER AG (DE) 1990-03-07 EP disclosed