SCHEMBL9364788

SCHEMBL9364788

COCCOCOc1ccc(C(ON=C(C(=O)N[C@@H]2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CSc4ncc(-c5ccc(O)c(O)c5)o4)CS[C@@H]23)c2csc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)C(=O)OC(c2ccccc2)c2ccccc2)cc1OCOCCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.36
▸ MAPT P10636 5/20 0.36
▸ APEX1 P27695 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ NR1I2 O75469 4/20 0.35
▸ PGR P06401 2/20 0.35
▸ PPARG P37231 2/20 0.35
▸ SLC22A6 Q4U2R8 2/20 0.35
▸ SLC22A8 Q8TCC7 2/20 0.35
▸ SLC22A11 Q9NSA0 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ CYP2J2 P51589 1/20 0.35

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
SCHEMBL9364784 1.00 TDP1 (0.36) TDP1MAPTAPEX1HSD17B10ALDH1A1
SCHEMBL9360418 0.90 NR1I2 (0.38) TDP1MAPTAPEX1HSD17B10ALDH1A1
SCHEMBL9360424 0.90 NR1I2 (0.38) TDP1MAPTAPEX1HSD17B10ALDH1A1
SCHEMBL9360563 0.88 PTGS1 (0.40) TDP1MAPTAPEX1HSD17B10ALDH1A1
SCHEMBL9360573 0.88 PTGS1 (0.40) TDP1MAPTAPEX1HSD17B10ALDH1A1
SCHEMBL9735564 0.88 PTGS1 (0.40) TDP1MAPTAPEX1HSD17B10ALDH1A1
SCHEMBL9735565 0.88 PTGS1 (0.40) TDP1MAPTAPEX1HSD17B10ALDH1A1
SCHEMBL9734880 0.87 PTGS1 (0.40) TDP1MAPTAPEX1HSD17B10ALDH1A1
SCHEMBL9734871 0.87 PTGS1 (0.40) TDP1MAPTAPEX1HSD17B10ALDH1A1
SCHEMBL9360994 0.86 NR1I2 (0.39) TDP1MAPTAPEX1HSD17B10ALDH1A1

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-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 — — EP disclosed
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