SCHEMBL20096259

SCHEMBL20096259

CCC(C(=O)OCNC(=O)OC(C)(C)C)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
CTSK P43235 4/20 0.38
CTSS P25774 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
SYK P43405 1/20 0.38
PSENEN Q9NZ42 1/20 0.36
APLNR P35414 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA7 P43166 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6116336 0.79 CYP2C9 (0.35) MEN1KMT2AGAACTSKCTSS
SCHEMBL30903258 0.75 MEN1 (0.45) MEN1KMT2AGAACTSKCTSS
SCHEMBL1726115 0.73 TDP1 (0.44) MEN1KMT2AGAACTSKCTSS
SCHEMBL25408315 0.72 MEN1 (0.50) MEN1KMT2AGAACTSKCTSS
SCHEMBL18272943 0.72 TDP1 (0.47) MEN1KMT2AGAATDP1APLNR
SCHEMBL17574265 0.72 TDP1 (0.50) MEN1KMT2AGAACTSKCTSS
SCHEMBL6117334 0.72 ALDH1A1 (0.40) GAACA1CA2ALDH1A1TSHR
SCHEMBL5352030 0.69 MEN1 (0.46) MEN1KMT2AGAACTSKCTSS
SCHEMBL12880606 0.69 MEN1 (0.46) MEN1KMT2AGAACTSKCTSS
SCHEMBL2369074 0.69 MEN1 (0.46) MEN1KMT2AGAACTSKCTSS

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed