SCHEMBL21733835

SCHEMBL21733835

CCOC(=O)C1CC(C)C(c2c(F)c(C)cc(C)c2C(F)(F)F)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR4 O00206 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL21733824 0.89 MAPT (0.36) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL24854884 0.86 KDM4E (0.32) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL21733838 0.81 TP53 (0.32) ALDH1A1
SCHEMBL26268266 0.81 TP53 (0.32) ALDH1A1
SCHEMBL21733627 0.81 TP53 (0.33) KDM4EALDH1A1HPGD
SCHEMBL24854893 0.75 KDM4E (0.32) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL26268285 0.74 ALDH1A1 (0.40) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL24855041 0.73 KDM4E (0.34) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL28490711 0.73 TUBB3 (0.33) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL26269144 0.72 TP53 (0.31) ALDH1A1

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
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO disclosed