SCHEMBL9684434

SCHEMBL9684434

CCC(=O)Nc1nc(C(=NOC)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(COC(C)=O)CS[C@H]23)cs1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 9/20 0.78
▸ MAPT P10636 4/20 0.78
▸ SLC22A6 Q4U2R8 3/20 0.78
▸ SLC22A8 Q8TCC7 3/20 0.78
▸ SLC22A11 Q9NSA0 3/20 0.78
▸ PPARG P37231 2/20 0.78
▸ ALB P02768 1/20 0.78
▸ TDP1 Q9NUW8 6/20 0.67
▸ APEX1 P27695 2/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ ABCC4 O15439 2/20 0.67
▸ HTR2C P28335 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ POLB P06746 1/20 0.67
▸ RECQL P46063 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67

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
SCHEMBL9682776 0.94 NR1I2 (0.78) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL8628827 0.94 NR1I2 (0.77) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL10847228 0.94 NR1I2 (0.77) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL5439979 0.94 NR1I2 (0.77) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL8631702 0.94 NR1I2 (0.77) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9679491 0.94 NR1I2 (0.77) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL11055144 0.94 NR1I2 (0.77) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL5439983 0.94 NR1I2 (0.77) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9683726 0.94 NR1I2 (0.81) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9682865 0.91 NR1I2 (0.73) NR1I2MAPTSLC22A6SLC22A8SLC22A11

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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