SCHEMBL9432113

SCHEMBL9432113

CC[Si](CC)(CC)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](C)[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.41
KMT2A Q03164 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TBXAS1 P24557 1/20 0.35
MEN1 O00255 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
SCHEMBL9432185 0.87 ELANE (0.38) ELANEKMT2ACASP3SENP8SENP7
SCHEMBL9690431 0.87 ELANE (0.38) ELANEKMT2ACASP3SENP8SENP7
SCHEMBL23258853 0.86 ELANE (0.37) ELANEKMT2ACASP3SENP8SENP7
SCHEMBL25601214 0.86 ELANE (0.37) ELANEKMT2ACASP3SENP8SENP7
SCHEMBL9431775 0.86 ELANE (0.37) ELANEKMT2ACASP3SENP8SENP7
SCHEMBL9431957 0.81 ELANE (0.37) ELANEKMT2ACASP3SENP8SENP7
SCHEMBL9690416 0.80 PKM (0.34) ELANEKMT2AALDH1A1LMNAMEN1
SCHEMBL9690422 0.79 ELANE (0.39) ELANEKMT2ACASP3SENP8SENP7
SCHEMBL9432123 0.76 ELANE (0.35) ELANEKMT2AMEN1
SCHEMBL9432683 0.76 ELANE (0.35) ELANEKMT2AMEN1

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
US-5338733-A Bactericides SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-08-16 US disclosed
EP-0564270-A1 An isoxazolidinyl carbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-10-06 EP disclosed