SCHEMBL17875663

SCHEMBL17875663

[2H]C[C@H]1O[C@@H](C)CC1OC(=O)CCC(=O)NC(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL817541 0.84 TSHR (0.38) KMT2A
SCHEMBL14805495 0.81 MMP3 (0.36)
SCHEMBL817934 0.81 MMP3 (0.36)
SCHEMBL889177 0.69 TSHR (0.37) KMT2AEPHX2
SCHEMBL889195 0.67 MMP3 (0.33)
SCHEMBL14003359 0.66 PRKCA (0.36)
SCHEMBL13880875 0.66 PRKCA (0.36)
SCHEMBL10599391 0.65 TSHR (0.38)
SCHEMBL14003358 0.64 TSHR (0.31)
SCHEMBL13290382 0.64 TSHR (0.59) MEN1FAAHMAPK1KMT2A

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-20160184788-A1 A Method of Selectively Masking One or More Sites on a Surface and a Method of Synthesising an Array of Molecules SILICON VALLEY BANK 2016-06-30 US disclosed