SCHEMBL11772200

SCHEMBL11772200

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)COc3ccc(N)cc3)[C@H]2SC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.72
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11772203 1.00 PLCG1 (0.72) PLCG1L3MBTL1ALDH1A1MAPK1CTDSP1
SCHEMBL11770430 0.94 PLCG1 (0.74) PLCG1L3MBTL1ALDH1A1MAPK1CTDSP1
SCHEMBL11770424 0.94 PLCG1 (0.74) PLCG1L3MBTL1ALDH1A1MAPK1CTDSP1
SCHEMBL11769717 0.92 PLCG1 (0.72) PLCG1L3MBTL1ALDH1A1MAPK1CTDSP1
SCHEMBL11651852 0.92 PLCG1 (0.72) PLCG1L3MBTL1ALDH1A1MAPK1CTDSP1
SCHEMBL10778893 0.92 PLCG1 (0.82) PLCG1L3MBTL1ALDH1A1MAPK1CTDSP1
SCHEMBL9186607 0.92 PLCG1 (0.82) PLCG1L3MBTL1ALDH1A1MAPK1CTDSP1
SCHEMBL11541672 0.92 PLCG1 (0.82) PLCG1L3MBTL1ALDH1A1MAPK1CTDSP1
SCHEMBL11278886 0.92 PLCG1 (0.82) PLCG1L3MBTL1ALDH1A1MAPK1CTDSP1
SCHEMBL9180696 0.92 PLCG1 (0.82) PLCG1L3MBTL1ALDH1A1MAPK1CTDSP1

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-3972774-A BY AN ESTERASE ENZYME FROM BACILLUS ELI LILLY AND COMPANY (US) 1976-08-03 — — US disclosed
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