SCHEMBL11498677

SCHEMBL11498677

COC(=O)C(C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccsc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.84
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ KDM4E B2RXH2 7/20 0.59
▸ RECQL P46063 4/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TEK Q02763 1/20 0.59
▸ SLC15A2 Q16348 1/20 0.59
▸ LMNA P02545 4/20 0.58
▸ TSHR P16473 1/20 0.58
▸ RARB P10826 1/20 0.57
▸ RARG P13631 1/20 0.57
▸ NR1H2 P55055 1/20 0.57
▸ NR1H3 Q13133 1/20 0.57
▸ NR1I3 Q14994 1/20 0.57
▸ PDE3A Q14432 1/20 0.53
▸ HRH1 P35367 1/20 0.51

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
Ticarcillin SCHEMBL34025 0.91 PTGS1 (1.00) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin SCHEMBL10738099 0.91 PTGS1 (1.00) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin SCHEMBL5047437 0.91 PTGS1 (1.00) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin SCHEMBL10738085 0.91 PTGS1 (1.00) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin SCHEMBL28757995 0.90 PTGS1 (0.98) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin SCHEMBL4228859 0.90 PTGS1 (0.98) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin SCHEMBL193733 0.90 PTGS1 (0.98) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin SCHEMBL4935408 0.90 PTGS1 (0.98) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin SCHEMBL9929365 0.90 PTGS1 (0.98) PTGS1SMN1; SMN2KDM4ERECQLTDP1
Ticarcillin SCHEMBL4935398 0.90 PTGS1 (0.98) PTGS1SMN1; SMN2KDM4ERECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4185014-A Kentenimine intermediates for 6α-methoxy-α-carboxy penicillins BEECHAM GROUP LIMITED (GB) 1980-01-22 — — US disclosed
US-4182710-A Ketenimine intermediates for 6α-methoxy-α-carboxy penicillins BEECHAM GROUP LIMITED (GB) 1980-01-08 — — US disclosed
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