SCHEMBL9704583

SCHEMBL9704583

Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=NOC3CC3)c3csc(NC=O)n3)[C@@H]2SC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.70
▸ PGR P06401 3/20 0.70
▸ PPARG P37231 3/20 0.54
▸ SLC22A6 Q4U2R8 3/20 0.54
▸ SLC22A8 Q8TCC7 3/20 0.54
▸ SLC22A11 Q9NSA0 3/20 0.54
▸ DAO P14920 1/20 0.54
▸ SNCA P37840 1/20 0.54
▸ CYP2J2 P51589 1/20 0.54
▸ ABCC4 O15439 1/20 0.53
▸ POLB P06746 9/20 0.53
▸ MAPT P10636 9/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ TDP1 Q9NUW8 8/20 0.52
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL9704581 1.00 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9658265 0.93 NR1I2 (0.81) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9658259 0.93 NR1I2 (0.81) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11010966 0.92 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11010981 0.92 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10990662 0.92 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10990661 0.92 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11102782 0.91 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11102778 0.91 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11011203 0.91 NR1I2 (0.70) 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
EP-0192210-B1 CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-21 — — EP disclosed
US-4973699-A Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-11-27 — — US disclosed
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