Sugi Predict

Sugi Predict / Compounds / SCHEMBL7628844

SCHEMBL7628844

SCHEMBL7628844

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3csc4c(CCO[Si](C)(C)C(C)(C)C)ncn34)C[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.34
▸ ELANE P08246 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL7722339 0.90 PLCG1 (0.34) PLCG1ELANENPC1KMT2A
SCHEMBL8187440 0.86 PLCG1 (0.36) PLCG1ELANENPC1KMT2A
SCHEMBL7636917 0.85 PLCG1 (0.39) PLCG1ELANENPC1KMT2A
SCHEMBL7732679 0.85 PLCG1 (0.37) PLCG1ELANENPC1KMT2A
SCHEMBL7734230 0.85 L3MBTL1 (0.41) PLCG1ELANENPC1KMT2A
SCHEMBL8195858 0.84 PLCG1 (0.36) PLCG1ELANENPC1KMT2A
SCHEMBL7731695 0.84 PLCG1 (0.36) PLCG1ELANENPC1KMT2A
SCHEMBL7041305 0.84 PLCG1 (0.36) PLCG1ELANENPC1KMT2A
SCHEMBL7629240 0.84 KDM4E (0.35) ELANE
SCHEMBL7729575 0.84 PLCG1 (0.36) PLCG1ELANENPC1KMT2A

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
EP-1022279-B1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2002-09-04 — — EP disclosed