SCHEMBL19708512

SCHEMBL19708512

COOS(=O)(=O)c1cc(Nc2cccc(S(=O)(=O)CCNC(=O)C(NC(=O)C3CCCN3C(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCC3c4ccccc4-c4ccccc43)C(C)C)c2)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.35
▸ GNG2 P59768 2/20 0.33
▸ GNB1 P62873 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ P2RY2 P41231 2/20 0.31
▸ P2RY4 P51582 2/20 0.31
▸ P2RY12 Q9H244 2/20 0.31
▸ XIAP P98170 2/20 0.31
▸ BIRC3 Q13489 2/20 0.31

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
SCHEMBL19708371 0.99 ELANE (0.36) ELANEGNG2GNB1ALDH1A1CYP1A2
SCHEMBL19708353 0.98 ELANE (0.36) ELANEGNG2GNB1ALDH1A1CYP1A2
SCHEMBL19708511 0.94 GNG2 (0.40) ELANEGNG2GNB1ALDH1A1CYP1A2
SCHEMBL19708594 0.93 ELANE (0.33) ELANECASP3CALCRL
SCHEMBL19708601 0.91 GNG2 (0.36) ELANEGNG2GNB1ALDH1A1CYP1A2
SCHEMBL19708355 0.90 GNG2 (0.37) ELANEGNG2GNB1ALDH1A1CYP1A2
SCHEMBL19708508 0.89 GNG2 (0.36) ELANEGNG2GNB1ALDH1A1CYP1A2
SCHEMBL19708592 0.87 CASP3 (0.41) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL19708595 0.87 CASP3 (0.42) GNG2GNB1ALDH1A1CYP1A2CYP3A4
SCHEMBL19708590 0.87 GNG2 (0.34) ELANEGNG2GNB1ALDH1A1CYP1A2

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-2017212345-A2 DETECTING MICROBIAL INFECTION IN WOUNDS SYNOVO GMBH (DE) 2017-12-14 — — WO disclosed
Send feedback