SCHEMBL4698784

SCHEMBL4698784

N=C(N)NC(=N)C[C@H]1C(=O)N(C(=O)NCCc2ccccc2)[C@@H]1C(=O)OC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 7/20 0.44
TPSD1 Q9BZJ3 7/20 0.44
TPSG1 Q9NRR2 7/20 0.44
F2 P00734 3/20 0.44
PRSS1 P07477 3/20 0.44
PLG P00747 1/20 0.44
HRH3 Q9Y5N1 1/20 0.38
EPHX2 P34913 4/20 0.36
ALDH1A1 P00352 2/20 0.35
TAAR1 Q96RJ0 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
EPHX1 P07099 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
PRSS2 P07478 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
SCHEMBL4696831 0.87 TPSAB1 (0.39) TPSAB1TPSD1TPSG1F2EPHX2
SCHEMBL4697607 0.85 TPSAB1 (0.48) TPSAB1TPSD1TPSG1F2HRH3
SCHEMBL3338244 0.82 CMA1 (0.39) TPSAB1TPSD1TPSG1NPC1EPHX1
SCHEMBL4696612 0.75 TPSAB1 (0.41) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL3336619 0.71 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ALDH1A1ALOX12
SCHEMBL4697341 0.70 TPSAB1 (0.58) TPSAB1TPSD1TPSG1EPHX2
SCHEMBL4697345 0.70 TPSAB1 (0.58) TPSAB1TPSD1TPSG1EPHX2
SCHEMBL3338358 0.69 CMA1 (0.40) F2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4696810 0.68 FOLH1 (0.41) TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL4694722 0.67 TAAR1 (0.36) TPSAB1ALDH1A1TAAR1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 EP disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 WO disclosed