SCHEMBL11097617

SCHEMBL11097617

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)c3ccccc3)[C@@H]2SC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.81
▸ ALDH1A1 P00352 4/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ MAPK1 P28482 2/20 0.52
▸ KMT2A Q03164 3/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ APBA1 Q02410 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ CYP2C19 P33261 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ BLM P54132 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ SLC15A2 Q16348 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL11654441 1.00 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL11648874 0.92 PLCG1 (0.71) PLCG1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL11648872 0.92 PLCG1 (0.71) PLCG1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL11677901 0.91 PLCG1 (0.78) PLCG1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL11677903 0.91 PLCG1 (0.78) PLCG1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL11104711 0.91 PLCG1 (0.67) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL11575527 0.91 PLCG1 (0.67) PLCG1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL10412277 0.90 PLCG1 (1.00) PLCG1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL10412275 0.90 PLCG1 (1.00) PLCG1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL11672615 0.89 PLCG1 (0.79) PLCG1ALDH1A1L3MBTL1MAPK1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 — — EP disclosed
EP-0014567-A1 Processes for preparation of beta-lactam compounds ELI LILLY AND COMPANY (US) 1980-08-20 — — EP disclosed
US-4091214-A ALPHA-HYDROXY CARBOXYLIC ACID ELI LILLY AND COMPANY (US) 1978-05-23 — — US disclosed
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