SCHEMBL10447870

SCHEMBL10447870

COc1ccc(COC2C(=O)C=C(C(O/N=C(\C(=O)NC3C(=O)N4C(C(=O)OC(OC)c5ccccc5)=C(CSc5cnns5)CS[C@@H]34)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)OC(c3ccccc3)c3ccccc3)N=C2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.35
▸ PTGS1 P23219 2/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ NR1I2 O75469 5/20 0.34
▸ PGR P06401 3/20 0.34
▸ PPARG P37231 3/20 0.34
▸ SLC22A6 Q4U2R8 2/20 0.34
▸ SLC22A8 Q8TCC7 2/20 0.34
▸ SLC22A11 Q9NSA0 2/20 0.34
▸ DAO P14920 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ CYP2J2 P51589 1/20 0.34
▸ ABCC4 O15439 2/20 0.34
▸ HTR2C P28335 1/20 0.33
▸ MAPT P10636 5/20 0.33
▸ ALB P02768 1/20 0.33
▸ TDP1 Q9NUW8 6/20 0.33
▸ APEX1 P27695 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33

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
SCHEMBL9778303 0.95 KMT2A (0.35) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL10447374 0.93 KMT2A (0.35) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL9778409 0.89 KMT2A (0.35) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL9778343 0.88 NR1I2 (0.47) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9854432 0.79 NR1I2 (0.39) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL9462768 0.79 NR1I2 (0.38) KMT2APTGS1ABCB11PDE4DNR1I2
SCHEMBL9778331 0.78 GAA (0.33) KMT2AMAPTPOLBNPSR1
SCHEMBL11146670 0.76 NR1I2 (0.56) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL10416383 0.76 NR1I2 (0.56) KMT2ANR1I2PGRPPARGSLC22A6
SCHEMBL11146666 0.76 NR1I2 (0.56) KMT2ANR1I2PGRPPARGSLC22A6

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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