Sugi Predict

Sugi Predict / Compounds / SCHEMBL9428847

SCHEMBL9428847

SCHEMBL9428847

C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](C)C(=S)SCc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.33
▸ FAAH O00519 3/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ CASP1 P29466 1/20 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
SCHEMBL9428362 0.91 FAAH (0.32) ELANEFAAHMGLL
SCHEMBL9428848 0.90 ELANE (0.31) ELANEFAAH
SCHEMBL9427905 0.90 ELANE (0.35) ELANEFAAHMGLLCASP1
SCHEMBL6892231 0.88 ELANE (0.33) ELANEFAAHMGLLCASP1
SCHEMBL13946276 0.88 ELANE (0.33) ELANEFAAHMGLLCASP1
SCHEMBL9726095 0.87 ELANE (0.33) ELANEFAAHMGLL
SCHEMBL3873801 0.84 FAAH (0.33) ELANEFAAHMGLL
SCHEMBL6892042 0.84 FAAH (0.33) ELANEFAAHMGLL
SCHEMBL13764795 0.84 FAAH (0.33) ELANEFAAHMGLL
SCHEMBL7630397 0.84 ELANE (0.31) ELANEFAAH

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-5306816-A Processes for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 — — US disclosed
EP-0499196-A1 Intermediates and process for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-19 — — EP disclosed