SCHEMBL11796154

SCHEMBL11796154

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H](N[PH2](C)C)[C@@H]2SC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.75
▸ ALDH1A1 P00352 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPK1 P28482 1/20 0.46
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ SLC15A2 Q16348 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ SLC22A8 Q8TCC7 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CACNA1B Q00975 2/20 0.40
▸ APBA1 Q02410 2/20 0.40
▸ BLM P54132 1/20 0.40

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
SCHEMBL11838949 0.92 PLCG1 (0.72) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL11672615 0.90 PLCG1 (0.79) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL11672611 0.90 PLCG1 (0.79) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL11771771 0.87 PLCG1 (0.86) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL11773847 0.87 PLCG1 (0.89) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL11654441 0.86 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL10412277 0.86 PLCG1 (1.00) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL9182159 0.86 PLCG1 (0.73) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL10412275 0.86 PLCG1 (1.00) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL11097617 0.86 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1MAPK1MAPT

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-3998817-A REDUCTION OF A PHOSPHORIC ACID AMIDE OF PENICILLIN SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-12-21 — — US disclosed
US-3978053-A Process for producing cephalosporins SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-31 — — US disclosed
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