SCHEMBL11773847

SCHEMBL11773847

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)Cc3ccc(O)cc3)[C@@H]2SC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.89
▸ ALDH1A1 P00352 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MAPK1 P28482 1/20 0.57
▸ TDP1 Q9NUW8 6/20 0.49
▸ CTDSP1 Q9GZU7 2/20 0.47
▸ MAPT P10636 5/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SLC22A6 Q4U2R8 2/20 0.47
▸ SLC22A8 Q8TCC7 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ SLC15A2 Q16348 1/20 0.47
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL10412277 0.94 PLCG1 (1.00) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL10412275 0.94 PLCG1 (1.00) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11773967 0.93 PLCG1 (0.86) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11771771 0.93 PLCG1 (0.86) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11770430 0.91 PLCG1 (0.74) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11770424 0.91 PLCG1 (0.74) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11774310 0.90 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11672615 0.89 PLCG1 (0.79) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11672611 0.89 PLCG1 (0.79) PLCG1ALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL9655895 0.89 PLCG1 (0.84) PLCG1ALDH1A1L3MBTL1MAPK1TDP1

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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