SCHEMBL9683679

SCHEMBL9683679

CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.81
▸ MAPT P10636 5/20 0.78
▸ NR1I2 O75469 4/20 0.78
▸ ALB P02768 1/20 0.78
▸ PPARG P37231 1/20 0.78
▸ SLC22A6 Q4U2R8 1/20 0.78
▸ SLC22A8 Q8TCC7 1/20 0.78
▸ SLC22A11 Q9NSA0 1/20 0.78
▸ TDP1 Q9NUW8 5/20 0.76
▸ APEX1 P27695 3/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ HSD17B10 Q99714 3/20 0.76
▸ POLB P06746 2/20 0.76
▸ RECQL P46063 2/20 0.76
▸ CYP1A2 P05177 1/20 0.76
▸ PKM P14618 1/20 0.76
▸ ABCC4 O15439 1/20 0.76
▸ LMNA P02545 1/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.76

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
SCHEMBL10741940 1.00 PTGS1 (0.81) PTGS1MAPTNR1I2ALBPPARG
SCHEMBL10741947 1.00 PTGS1 (0.81) PTGS1MAPTNR1I2ALBPPARG
SCHEMBL7810054 0.95 PTGS1 (0.81) PTGS1MAPTNR1I2ALBPPARG
SCHEMBL7810048 0.95 PTGS1 (0.81) PTGS1MAPTNR1I2ALBPPARG
SCHEMBL10740265 0.94 PTGS1 (0.83) PTGS1MAPTNR1I2ALBPPARG
SCHEMBL10740262 0.94 PTGS1 (0.83) PTGS1MAPTNR1I2ALBPPARG
Hydrochloric Acid SCHEMBL9342790 0.94 MAPT (0.85) PTGS1MAPTNR1I2ALBPPARG
SCHEMBL7828028 0.93 PTGS1 (0.78) PTGS1MAPTNR1I2ALBPPARG
SCHEMBL10744602 0.91 NR1I2 (0.80) PTGS1MAPTNR1I2ALBPPARG
SCHEMBL10744605 0.91 NR1I2 (0.80) PTGS1MAPTNR1I2ALBPPARG

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
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 — — US disclosed
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