SCHEMBL9360368

SCHEMBL9360368

COCCOCOc1ccc(C(ON=C(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CCl)CS[C@@H]23)c2csc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)C(=O)OC(c2ccccc2)c2ccccc2)cc1OCOCCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ PPARG P37231 3/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 0.42
▸ SLC22A11 Q9NSA0 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ KMT2A Q03164 1/20 0.39
▸ PGR P06401 3/20 0.39
▸ DAO P14920 1/20 0.38
▸ SNCA P37840 1/20 0.38
▸ CYP2J2 P51589 1/20 0.38
▸ ABCC4 O15439 2/20 0.38
▸ PTGS1 P23219 3/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ TDP1 Q9NUW8 5/20 0.37
▸ APEX1 P27695 3/20 0.37
▸ HSD17B10 Q99714 3/20 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
SCHEMBL9360350 1.00 NR1I2 (0.43) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9734871 0.97 PTGS1 (0.40) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9734880 0.97 PTGS1 (0.40) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9735565 0.92 PTGS1 (0.40) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9360563 0.92 PTGS1 (0.40) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9360573 0.92 PTGS1 (0.40) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9735564 0.92 PTGS1 (0.40) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9792197 0.89 NR1I2 (0.47) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9792192 0.89 NR1I2 (0.47) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9735814 0.87 PTGS1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 — — EP disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 — — EP disclosed
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