SCHEMBL8743305

SCHEMBL8743305

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)OCc3ccccc3)[C@@H]2[S+]([O-])C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.41
▸ NAAA Q02083 7/20 0.39
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8743301 1.00 PLCG1 (0.41) PLCG1NAAACTSBCTSSCTSK
SCHEMBL11077487 0.92 CTSS (0.43) PLCG1CTSBCTSSCTSKALDH1A1
SCHEMBL10706061 0.89 MAPK1 (0.46) PLCG1ALDH1A1L3MBTL1
Biphenyl SCHEMBL10337735 0.89 NAAA (0.44) PLCG1NAAAELANE
SCHEMBL11306235 0.89 MAPK1 (0.46) PLCG1ALDH1A1L3MBTL1
SCHEMBL11306239 0.89 MAPK1 (0.46) PLCG1ALDH1A1L3MBTL1
SCHEMBL11076122 0.85 ALDH1A1 (0.38) PLCG1ALDH1A1L3MBTL1
SCHEMBL11081835 0.83 CTSS (0.46) CTSBCTSSCTSKALDH1A1
SCHEMBL11753680 0.83 CTDSP1 (0.39) ALDH1A1L3MBTL1
SCHEMBL11080377 0.83 CTDSP1 (0.39) ALDH1A1L3MBTL1

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
EP-0387448-B1 Photochemical conversion of cephalosporins, 1-carba(dethia)cephalosporins and 1-oxa(1-dethia)cephalosporins LILLY CO ELI (US) 1997-01-08 — — EP disclosed
US-4888100-A ULTRAVIOLET RADIATION ELI LILLY AND COMPANY (US) 1989-12-19 — — US disclosed
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