SCHEMBL27770507

SCHEMBL27770507

[CH2]c1ccc(C(=O)Oc2ccccc2OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.63
ACR P10323 2/20 0.63
MAPT P10636 2/20 0.54
KMT2A Q03164 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
RXRA P19793 1/20 0.46
SERPINE1 P05121 1/20 0.46
ATM Q13315 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45

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
SCHEMBL12520418 0.91 PRSS1 (0.73) PRSS1ACRMAPTKMT2AL3MBTL1
SCHEMBL16838267 0.86 MAPT (0.72) PRSS1ACRMAPTKMT2AL3MBTL1
SCHEMBL29749397 0.85 PRSS1 (0.66) PRSS1ACRMAPTKMT2AL3MBTL1
SCHEMBL1671519 0.85 PRSS1 (0.66) PRSS1ACRMAPTKMT2AL3MBTL1
SCHEMBL28083375 0.84 PRSS1 (0.65) PRSS1ACRMAPTKMT2AL3MBTL1
SCHEMBL8210665 0.84 PRSS1 (0.65) PRSS1ACRMAPTKMT2AL3MBTL1
SCHEMBL11283261 0.84 PRSS1 (0.65) PRSS1ACRMAPTKMT2AMEN1
SCHEMBL21159215 0.84 KMT2A (0.67) PRSS1ACRMAPTKMT2AL3MBTL1
SCHEMBL31321689 0.83 PRSS1 (0.63) PRSS1ACRMAPTKMT2AL3MBTL1
SCHEMBL31321629 0.83 PRSS1 (0.63) PRSS1ACRMAPTKMT2AMEN1

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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed