SCHEMBL11628474

SCHEMBL11628474

CCOC(=O)c1cnc(-c2ccccc2OC(C)C)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
GAA P10253 1/20 0.48
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 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
SCHEMBL11631194 0.91 KDM4E (0.52) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL11628793 0.89 KDM4E (0.57) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL11628765 0.88 KDM4E (0.53) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL8294627 0.87 KDM4E (0.62) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL9296772 0.85 KDM4E (0.54) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL11708696 0.85 PDE5A (0.51) PDE5A
SCHEMBL11628682 0.84 KDM4E (0.53) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL11629795 0.84 IRAK4 (0.52) PDE5A
SCHEMBL11628488 0.83 KDM4E (0.53) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL11626631 0.83 KDM4E (0.52) KDM4EALDH1A1L3MBTL1GAAMAPT

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
US-4082751-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed
US-4031093-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1977-06-21 US disclosed