SCHEMBL1688348

SCHEMBL1688348

COCCOc1cccc(N[C@H](C(=O)N2CCC[C@H]2C(N)=O)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 2/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.43
▸ ELANE P08246 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ FKBP1A P62942 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37

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
SCHEMBL7943694 0.80 ELANE (0.46) ELANEALDH1A1DPP4HCRTR2
SCHEMBL7942699 0.77 THRB (0.46) ELANEALDH1A1DPP4KMT2APIK3CA
SCHEMBL10070423 0.76 THRB (0.43) —
SCHEMBL10070424 0.76 THRB (0.43) MEN1KMT2A
SCHEMBL10069866 0.76 EPHX2 (0.43) GAAKMT2AEPHX2
SCHEMBL1688344 0.75 EPHX2 (0.42) KMT2AEPHX2
SCHEMBL12463609 0.72 ELANE (0.41) ELANEDPP4
SCHEMBL7997071 0.71 NPC1 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL12780144 0.71 ELANE (0.46) ELANEHTR1AHTR7
SCHEMBL5735969 0.69 ALDH1A1 (0.74) ALDH1A1L3MBTL1NPSR1GAAMEN1

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-2012047764-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2012-04-12 — — WO disclosed
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