SCHEMBL10447600

SCHEMBL10447600

CC1=CC(=O)C(O)C(C(O)O/N=C(\C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4cnns4)CS[C@@H]23)c2csc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)=N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.43
▸ PGR P06401 3/20 0.43
▸ PPARG P37231 3/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 0.42
▸ SLC22A11 Q9NSA0 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DAO P14920 1/20 0.42
▸ SNCA P37840 1/20 0.42
▸ CYP2J2 P51589 1/20 0.42
▸ ABCC4 O15439 1/20 0.42
▸ HTR2C P28335 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALB P02768 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ TDP1 Q9NUW8 5/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9778792 0.89 NR1I2 (0.55) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600254 0.87 NR1I2 (0.47) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600270 0.87 NR1I2 (0.47) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11146666 0.87 NR1I2 (0.56) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10416383 0.87 NR1I2 (0.56) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11146670 0.87 NR1I2 (0.56) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10747368 0.82 NR1I2 (0.46) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9462560 0.81 NR1I2 (0.44) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9778349 0.81 NR1I2 (0.55) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9778409 0.80 KMT2A (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354576-A2 Novel cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1990-02-14 — — EP disclosed
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