SCHEMBL11135071

SCHEMBL11135071

CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CO)CS[C@@H]12)c1csc(NC=O)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.67
▸ HTR2C P28335 1/20 0.67
▸ MAPT P10636 3/20 0.65
▸ PPARG P37231 2/20 0.65
▸ SLC22A6 Q4U2R8 2/20 0.65
▸ SLC22A8 Q8TCC7 2/20 0.65
▸ SLC22A11 Q9NSA0 2/20 0.65
▸ ALB P02768 1/20 0.65
▸ PGR P06401 3/20 0.58
▸ KMT2A Q03164 1/20 0.57
▸ DAO P14920 1/20 0.57
▸ SNCA P37840 1/20 0.57
▸ CYP2J2 P51589 1/20 0.57
▸ ABCC4 O15439 2/20 0.56
▸ TDP1 Q9NUW8 6/20 0.55
▸ APEX1 P27695 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ CYP1A2 P05177 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
SCHEMBL9013357 0.93 NR1I2 (0.66) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9013353 0.93 NR1I2 (0.66) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8868354 0.93 NR1I2 (0.78) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8868357 0.93 NR1I2 (0.78) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9524193 0.92 TDP1 (0.65) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8867894 0.92 NR1I2 (0.65) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL8867882 0.92 NR1I2 (0.65) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL29587230 0.91 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9658284 0.91 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9658307 0.90 NR1I2 (0.71) NR1I2HTR2CMAPTPPARGSLC22A6

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-0010313-B1 3,7-DISUBSTITUTED-2- OR -3-CEPHEM-4-CARBOXYLIC ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-26 — — EP disclosed
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