SCHEMBL16256540

SCHEMBL16256540

COC(=O)NCCCC(O)CO

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 14/20 0.38
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.34
PLA2G2C Q5R387 1/20 0.34

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
SCHEMBL27794042 0.88 EPHX1 (0.44) EPHX1MEN1GAAKMT2AACHE
SCHEMBL27900045 0.83 EPHX1 (0.63) EPHX1MEN1GAAKMT2AACHE
SCHEMBL754326 0.82 MEN1 (0.66) EPHX1MEN1GAAKMT2ATDP1
SCHEMBL14744213 0.82 MEN1 (0.66) EPHX1MEN1GAAKMT2ATDP1
SCHEMBL16806325 0.80 KDM4E (0.54) THRBPLA2G2C
SCHEMBL13631005 0.78 EPHX1 (0.55) EPHX1MEN1GAAKMT2AACHE
SCHEMBL3772713 0.78 THRB (0.39) MEN1GAAKMT2ATHRB
SCHEMBL22861480 0.77 EPHX1 (0.50) EPHX1MEN1GAAKMT2AACHE
SCHEMBL7252127 0.76 EPHX1 (0.77) EPHX1MEN1KMT2AACHETDP1
SCHEMBL14433357 0.76 EPHX1 (0.70) EPHX1MEN1GAAKMT2AACHE

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
US-8895516-B2 Modified saccharides, conjugates thereof, and their manufacture NOVARTIS AG (CH) 2014-11-25 US disclosed