SCHEMBL10690708

SCHEMBL10690708

C[C@H]1C(SCc2ccccn2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]([C@@H](C)O)C12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
ELANE P08246 6/20 0.41
PLCG1 P19174 1/20 0.39
FAP Q12884 1/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL10612514 0.84 ELANE (0.46) L3MBTL1ELANEPLCG1FAPRAB9A
SCHEMBL9216219 0.84 ELANE (0.46) L3MBTL1ELANEPLCG1FAPRAB9A
SCHEMBL9216222 0.84 ELANE (0.46) L3MBTL1ELANEPLCG1FAPRAB9A
SCHEMBL10757693 0.84 ELANE (0.42) L3MBTL1ELANEPLCG1FAPRAB9A
SCHEMBL10757699 0.84 ELANE (0.42) L3MBTL1ELANEPLCG1FAPRAB9A
SCHEMBL10757697 0.84 ELANE (0.42) L3MBTL1ELANEPLCG1FAPRAB9A
SCHEMBL10759797 0.83 ELANE (0.42) L3MBTL1ELANEPLCG1FAPRAB9A
SCHEMBL10759791 0.83 ELANE (0.42) L3MBTL1ELANEPLCG1FAPRAB9A
SCHEMBL10759800 0.83 ELANE (0.42) L3MBTL1ELANEPLCG1FAPRAB9A
SCHEMBL21046140 0.83 ELANE (0.41) L3MBTL1ELANEPLCG1FAPKMT2A

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-4746736-A THIENAMYCINS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1988-05-24 US disclosed
US-4644061-A Carbapenem antibiotics BRISTOL-MYERS COMPANY (US) 1987-02-17 US disclosed