Sugi Predict

Sugi Predict / Compounds / SCHEMBL7728009

SCHEMBL7728009

SCHEMBL7728009

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4cnc(S(=O)(=O)N(C)CCO[Si](C)(C)C(C)(C)C)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7722355 0.91 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7722496 0.89 ALDH1A1 (0.40) ALDH1A1
SCHEMBL7727973 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6890430 0.86 CACNA1C (0.30) —
SCHEMBL7732306 0.86 PLCG1 (0.35) ALDH1A1
SCHEMBL7722313 0.85 PLCG1 (0.33) —
SCHEMBL7722562 0.85 PLCG1 (0.32) —
SCHEMBL7729532 0.85 ELANE (0.35) ALDH1A1
SCHEMBL7731948 0.85 PLCG1 (0.34) ALDH1A1
SCHEMBL7727955 0.84 PLCG1 (0.34) ALDH1A1

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
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 — — US disclosed