SCHEMBL21495883

SCHEMBL21495883

Oc1ccc(Oc2ccc(-c3ccc(-c4ccc(Oc5ccc(O)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.82
ESR1 P03372 4/20 0.82
MEN1 O00255 1/20 0.82
KMT2A Q03164 1/20 0.82
LTA4H P09960 5/20 0.67
NR1H2 P55055 1/20 0.67
BAX Q07812 1/20 0.67
PARP10 Q53GL7 1/20 0.54
MMP3 P08254 1/20 0.52
BCL2L1 Q07817 1/20 0.52
ABL1 P00519 2/20 0.50
ABCB1 P08183 2/20 0.50
BCR P11274 2/20 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
SCHEMBL8663280 1.00 ESR2 (0.82) ESR2ESR1MEN1KMT2ALTA4H
SCHEMBL9581090 1.00 ESR2 (0.82) ESR2ESR1MEN1KMT2ALTA4H
SCHEMBL371587 1.00 ESR2 (0.82) ESR2ESR1MEN1KMT2ALTA4H
SCHEMBL10611804 1.00 ESR2 (0.82) ESR2ESR1MEN1KMT2ALTA4H
SCHEMBL2196668 1.00 ESR2 (0.82) ESR2ESR1MEN1KMT2ALTA4H
SCHEMBL14148732 1.00 ESR2 (0.82) ESR2ESR1MEN1KMT2ALTA4H
SCHEMBL3175106 0.91 ESR2 (1.00) ESR2ESR1MEN1KMT2ALTA4H
SCHEMBL7811939 0.91 ESR2 (1.00) ESR2ESR1MEN1KMT2ALTA4H
SCHEMBL249169 0.91 ESR2 (1.00) ESR2ESR1MEN1KMT2ALTA4H
SCHEMBL18198 0.91 ESR2 (1.00) ESR2ESR1MEN1KMT2ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019203031-A1 SPECTACLE LENS AND SPECTACLES 富士フイルム株式会社 2019-10-24 WO claimed
WO-2019203031-A1 SPECTACLE LENS AND SPECTACLES 富士フイルム株式会社 2019-10-24 WO disclosed