SCHEMBL10832039

SCHEMBL10832039

CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3N)CS[C@@H]12)c1csc(N)n1)C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.73
▸ PGR P06401 3/20 0.73
▸ PPARG P37231 3/20 0.62
▸ SLC22A6 Q4U2R8 2/20 0.62
▸ SLC22A8 Q8TCC7 2/20 0.62
▸ SLC22A11 Q9NSA0 2/20 0.62
▸ DAO P14920 1/20 0.62
▸ SNCA P37840 1/20 0.62
▸ CYP2J2 P51589 1/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ HTR2C P28335 1/20 0.60
▸ MAPT P10636 3/20 0.59
▸ ALB P02768 1/20 0.59
▸ ESR1 P03372 1/20 0.58
▸ TDP1 Q9NUW8 7/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ KMT2A Q03164 1/20 0.56
▸ APEX1 P27695 3/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55

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
SCHEMBL10832222 0.96 NR1I2 (0.75) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10833280 0.94 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11145116 0.91 NR1I2 (0.87) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10832404 0.91 NR1I2 (0.87) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11145121 0.91 NR1I2 (0.87) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11470422 0.90 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11473844 0.90 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10832861 0.90 NR1I2 (0.77) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10833878 0.90 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10832527 0.89 NR1I2 (0.65) NR1I2PGRPPARGSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4576938-A Cephalosporin compound and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1986-03-18 — — US disclosed
EP-0081971-A2 Novel cephalosporin compound and process for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1983-06-22 — — EP disclosed
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