SCHEMBL9308616

SCHEMBL9308616

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.86
▸ MAPT P10636 4/20 0.86
▸ PPARG P37231 2/20 0.86
▸ SLC22A6 Q4U2R8 2/20 0.86
▸ SLC22A8 Q8TCC7 2/20 0.86
▸ SLC22A11 Q9NSA0 2/20 0.86
▸ ALB P02768 1/20 0.86
▸ HTR2C P28335 1/20 0.74
▸ TDP1 Q9NUW8 7/20 0.74
▸ APEX1 P27695 3/20 0.74
▸ ABCC4 O15439 3/20 0.74
▸ LMNA P02545 2/20 0.74
▸ L3MBTL1 Q9Y468 2/20 0.74
▸ HSD17B10 Q99714 2/20 0.74
▸ CYP1A2 P05177 1/20 0.74
▸ PKM P14618 1/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ POLB P06746 1/20 0.74
▸ RECQL P46063 1/20 0.74
▸ NPSR1 Q6W5P4 1/20 0.74

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
SCHEMBL9433140 1.00 NR1I2 (0.86) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9021736 1.00 NR1I2 (0.86) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9021729 1.00 NR1I2 (0.86) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9813269 0.99 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10950958 0.99 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
Trifluoroacetic Acid SCHEMBL9309494 0.96 NR1I2 (0.79) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9781601 0.95 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9781612 0.95 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9813331 0.94 NR1I2 (0.84) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9021800 0.94 NR1I2 (0.86) NR1I2MAPTPPARGSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5336673-A Antibacterials DAE WOONG PHARMACEUTICAL CO., LTD. (KR) 1994-08-09 — — US disclosed
US-5281589-A Pharmaceuticals CHEIL FOODS & CHEMICALS, INC. (KR) 1994-01-25 — — US disclosed
WO-1992021681-A1 NOVEL CEPHALOSPORINS AND PROCESSES FOR PREPARATION THEREOF DAE WONG PHARMACEUTICAL CO., LTD. (KR) 1992-12-10 — — WO disclosed
US-4647556-A Cephalosporin derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-03 — — US disclosed
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