SCHEMBL9738946

SCHEMBL9738946

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.74
▸ MAPT P10636 4/20 0.74
▸ PPARG P37231 3/20 0.74
▸ SLC22A6 Q4U2R8 2/20 0.74
▸ SLC22A8 Q8TCC7 2/20 0.74
▸ SLC22A11 Q9NSA0 2/20 0.74
▸ ALB P02768 1/20 0.74
▸ HTR2C P28335 1/20 0.70
▸ TDP1 Q9NUW8 6/20 0.67
▸ ABCC4 O15439 3/20 0.67
▸ CNR1 P21554 1/20 0.67
▸ CTDSP1 Q9GZU7 1/20 0.67
▸ APEX1 P27695 3/20 0.63
▸ LMNA P02545 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ POLB P06746 1/20 0.63

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
SCHEMBL9643866 1.00 NR1I2 (0.74) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9642542 1.00 NR1I2 (0.74) NR1I2MAPTPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL9644412 0.99 NR1I2 (0.73) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9643848 0.93 NR1I2 (0.86) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10764568 0.92 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10764553 0.92 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL8865950 0.92 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL8865962 0.92 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10782284 0.92 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9644088 0.92 NR1I2 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021682-A1 PROCESSES FOR THE PREPARATION OF CEPHALOSPORINS AND OF PHARMACEUTICAL COMPOSITION CONTAINING THEM BEECHAM GROUP P.L.C. (GB) 1992-12-10 — — WO claimed
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