SCHEMBL7728647

SCHEMBL7728647

CCC(=O)c1ncn2cc(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)sc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.36
PLCG1 P19174 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTR2A P28223 1/20 0.34
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 2/20 0.31
FAP Q12884 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
SCHEMBL7722446 1.00 ELANE (0.36) ELANEPLCG1L3MBTL1HTR2APOLB
SCHEMBL7730458 0.94 PLCG1 (0.35) ELANEPLCG1L3MBTL1HTR2APOLB
SCHEMBL7041829 0.94 PLCG1 (0.35) ELANEPLCG1L3MBTL1HTR2APOLB
SCHEMBL7728957 0.94 PLCG1 (0.37) ELANEPLCG1L3MBTL1HTR2APOLB
SCHEMBL7730230 0.93 PLCG1 (0.35) ELANEPLCG1L3MBTL1HTR2APOLB
SCHEMBL7631759 0.92 PLCG1 (0.36) ELANEPLCG1L3MBTL1HTR2APOLB
SCHEMBL7731024 0.92 PLCG1 (0.35) ELANEPLCG1L3MBTL1HTR2AHTT
SCHEMBL7722351 0.92 PLCG1 (0.34) ELANEPLCG1L3MBTL1HTR2APOLB
SCHEMBL7630879 0.92 PLCG1 (0.34) ELANEPLCG1L3MBTL1HTR2APOLB
SCHEMBL7729474 0.92 PLCG1 (0.34) ELANEPLCG1L3MBTL1HTR2APOLB

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-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
US-6403109-B1 SUBSTANTIALLY FREE OF VOLATILE ORGANIC SOLVENTS, OIL IN WATER EMULSION OR WATER IN OIL EMULSION; UREA, A DIOL, A TRIOL OR A POLYOL; VOLATILE SILICONE FLUID SUCH AS DECAMETHYL TETRASILOXANE, OCTAMETHYLCYCLOTETRASILOXANE FIRMENICH SA (CH) 2002-06-11 US disclosed