SCHEMBL9683486

SCHEMBL9683486

CCOC(=O)COC(=O)C1=C(COC(C)=O)CS[C@@H]2[C@H](NC(=O)C(=NOC)c3csc(N)n3)C(=O)N12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.79
▸ MAPT P10636 4/20 0.79
▸ PPARG P37231 2/20 0.79
▸ SLC22A6 Q4U2R8 2/20 0.79
▸ SLC22A8 Q8TCC7 2/20 0.79
▸ SLC22A11 Q9NSA0 2/20 0.79
▸ ALB P02768 1/20 0.79
▸ TDP1 Q9NUW8 4/20 0.77
▸ APEX1 P27695 2/20 0.77
▸ HSD17B10 Q99714 2/20 0.77
▸ ALDH1A1 P00352 2/20 0.77
▸ CYP1A2 P05177 1/20 0.77
▸ PKM P14618 1/20 0.77
▸ ABCC4 O15439 1/20 0.77
▸ LMNA P02545 1/20 0.77
▸ POLB P06746 1/20 0.77
▸ RECQL P46063 1/20 0.77
▸ NPSR1 Q6W5P4 1/20 0.77
▸ L3MBTL1 Q9Y468 1/20 0.77
▸ HTR2C P28335 1/20 0.69

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
SCHEMBL11137369 0.94 MAPT (0.79) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11141891 0.94 NR1I2 (0.74) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9683546 0.92 NR1I2 (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9684883 0.92 NR1I2 (0.88) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11140729 0.91 MAPT (0.70) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11141835 0.91 NR1I2 (0.72) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11132951 0.91 NR1I2 (0.72) NR1I2MAPTPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL9342790 0.91 MAPT (0.85) NR1I2MAPTPPARGSLC22A6SLC22A8
Cefotaxime SCHEMBL27820833 0.90 NR1I2 (0.94) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9683534 0.90 NR1I2 (0.78) NR1I2MAPTPPARGSLC22A6SLC22A8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 — — US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 — — US disclosed
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